Sugi Predict

Sugi Predict / Compounds / SCHEMBL1902452

SCHEMBL1902452

SCHEMBL1902452

C[C@H](CC(=O)O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC22A6 Q4U2R8 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.38
▸ CACNA2D1 P54289 2/20 0.37
▸ CACNB3 P54284 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HTR2B P41595 1/20 0.37
▸ CACNA2D2 Q9NY47 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ MAPT P10636 1/20 0.34
▸ GABRR1 P24046 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ GABRP O00591 2/20 0.32
▸ GABRD O14764 2/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRB1 P18505 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30782438 1.00 SLC22A6 (0.39) SLC22A6TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL4285661 1.00 SLC22A6 (0.39) SLC22A6TDP1CACNA2D1CACNB3CACNA1C
SCHEMBL191972 1.00 SLC22A6 (0.39) SLC22A6TDP1CACNA2D1CACNB3CACNA1C
Oxalic Acid SCHEMBL27725529 0.95 SLC22A6 (0.36) SLC22A6TDP1CACNA2D1CACNB3CACNA1C
Oxalic Acid SCHEMBL5015112 0.85 ALDH1A1 (0.30) SLC22A6ALDH1A1
SCHEMBL10494651 0.80 CA2 (0.32) —
SCHEMBL1492543 0.79 ALDH1A1 (0.50) TDP1ALDH1A1
SCHEMBL12019810 0.79 ALDH1A1 (0.50) TDP1ALDH1A1
SCHEMBL4288866 0.77 CYP2C19 (0.31) TDP1ALDH1A1
SCHEMBL4928260 0.77 ECE1 (0.32) TDP1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4577540-A1 A SCALABLE PROCESS FOR THE PREPARATION OF A GLYT-1 INHIBITOR Boehringer Ingelheim International GmbH (DE) 2025-07-02 — — EP disclosed
US-20240083889-A1 Scalable process for the preparation of a GlyT-1 Inhibitor BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2024-03-14 — — US disclosed
WO-2024042043-A1 A SCALABLE PROCESS FOR THE PREPARATION OF A GLYT-1 INHIBITOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2024-02-29 — — WO disclosed
EP-3183255-B1 SPIROPYRROLIDINES AS MDM2 INHIBITORS HUDSON BIOPHARMA INC (US) 2023-07-05 — — EP disclosed
WO-2023284860-A1 3-PHENYLPROPIONIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2023-01-19 — — WO disclosed
WO-2023284860-A1 3-PHENYLPROPIONIC ACID COMPOUND, PREPARATION METHOD THEREFOR AND MEDICAL APPLICATION THEREOF 江苏恒瑞医药股份有限公司 2023-01-19 — — WO disclosed
US-20220234996-A1 Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-07-28 — — US disclosed
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2022-07-05 — — US disclosed
US-11332435-B2 Method for producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4- chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic acid and the crystalline form thereof for use as a pharmaceutical ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-17 — — US disclosed
US-11332435-B2 Method for producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4- chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic acid and the crystalline form thereof for use as a pharmaceutical ingredient BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-17 — — US disclosed
WO-2013174736-A1 N-[3-(2-CARBOXYETHYL)PHENYL]PIPERIDIN-1-YLACETAMIDE DERIVATIVES AND USE THEREOF AS ACTIVATORS OF SOLUBLE GUANYLATE CYCLASE BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-11-28 — — WO disclosed
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-28 — — US disclosed
WO-2012139888-A1 BRANCHED 3-PHENYLPROPIONIC ACID DERIVATIVES AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-18 — — WO disclosed
EP-2493845-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2012-09-05 — — EP disclosed
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-05 — — US disclosed
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-06-02 — — US disclosed
WO-2011051165-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-05 — — WO disclosed
EP-2061470-A2 HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES Neurogen Corporation (US) 2009-05-27 — — EP disclosed
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives NEUROGEN CORPORATION (US) 2008-04-17 — — US disclosed
WO-2008024433-A2 HALOALKYL-SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2008-02-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220234996-A1 Method for Producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic Acid and the Crystalline Form Thereof for Use as a Pharmaceutical Ingredient FABP3, PCCA, HMGCR SLC22A6 652/4885TDP1 3287/4885CACNA2D1 2987/4885
US-20080090845-A1 Haloalkyl-substituted pyrimidinone derivatives PIGS, GPR174, GPR17 SLC22A6 732/4885TDP1 2186/4885CACNA2D1 2490/4885
US-20130079412-A1 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA SLC22A6 1760/4885TDP1 1678/4885CACNA2D1 3121/4885
US-20110130445-A1 SUBSTITUTED 3-PHENYLPROPIONIC ACIDS AND THE USE THEREOF FABP3, PC, PAH SLC22A6 1636/4885TDP1 1209/4885CACNA2D1 2944/4885
US-20240083889-A1 Scalable process for the preparation of a GlyT-1 Inhibitor GLRA1, AGXT, GLRA3 SLC22A6 1201/4885TDP1 2338/4885CACNA2D1 2573/4885
US-11377417-B2 Branched 3-phenylpropionic acid derivatives and their use PC, FABP3, PCCA SLC22A6 1760/4885TDP1 1678/4885CACNA2D1 3121/4885
US-20120172448-A1 Substituted 1-benzylcycloalkylcarboxylic acids and the use thereof PC, ACACA, PCCA SLC22A6 1137/4885TDP1 3103/4885CACNA2D1 2383/4885
US-11332435-B2 Method for producing (3S)-3-(4-chloro-3-{[(2S,3R)-2-(4- chlorophenyl)-4,4,4-trifluoro-3-methylbutanoyl]amino}phenyl)-3-cyclo-propylpropanoic acid and the crystalline form thereof for use as a pharmaceutical ingredient FABP3, PCCA, HMGCR SLC22A6 652/4885TDP1 3287/4885CACNA2D1 2987/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.