SCHEMBL22491768

SCHEMBL22491768

CC(C)(C)OC(=O)C[C@H](c1ccc(Cl)c(N)c1)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 11/20 0.37
▸ SLC6A2 P23975 9/20 0.37
▸ SLC6A4 P31645 9/20 0.37
▸ FFAR1 O14842 4/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ AAK1 Q2M2I8 1/20 0.35

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
SCHEMBL13278671 1.00 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4FFAR1NPC1
SCHEMBL30207003 1.00 SLC6A3 (0.37) SLC6A3SLC6A2SLC6A4FFAR1NPC1
SCHEMBL29743257 0.95 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL13471811 0.95 SLC6A3 (0.39) SLC6A3SLC6A2SLC6A4NPC1RAB9A
SCHEMBL13471789 0.89 KDM4E (0.34) SLC6A3SLC6A2SLC6A4FFAR1NPC1
SCHEMBL22491777 0.88 PHGDH (0.37) SLC6A3SLC6A2SLC6A4
SCHEMBL24893861 0.86 AAK1 (0.40) FFAR1AAK1
SCHEMBL28894085 0.85 FFAR1 (0.35) FFAR1
SCHEMBL23509596 0.84 FFAR1 (0.38) SLC6A3SLC6A2SLC6A4FFAR1
SCHEMBL13471781 0.81 AAK1 (0.39) SLC6A3SLC6A2SLC6A4NPC1RAB9A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221625-A Carboxylic acid compound, preparation method thereof and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-06-21 — — CN 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-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
US-20210179541-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) 2021-06-17 — — US disclosed
EP-3717480-A1 METHOD FOR PRODUCING (3S)-3-(4-CHLOR-3-{[(2S,3R)-2-(4-CHLORPHENYL)-4,4,4-TRIFLUOR-3-METHYLBUTANOYL]AMINO}PHENYL)-3-CYCLO-PROPYLPROPANOIC ACID AND THE CRYSTALLINE FORM THEREOF FOR USE AS A PHARMACEUTICAL INGREDIENT Bayer Pharma Aktiengesellschaft (DE) 2020-10-07 — — EP disclosed
CN-111433204-A Process for the preparation of (3S) -3- (4-chloro-3- { [ (2S,3R) -2- (4-chlorophenyl) -4,4, 4-trifluoro-3-methylbutyryl ] amino } phenyl) -3-cyclopropylpropionic acid and crystalline forms thereof for use as a pharmaceutically active substance 拜耳制药股份公司 2020-07-17 — — CN 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 (3 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 SLC6A3 1802/4885SLC6A2 3025/4885SLC6A4 2240/4885
US-20210179541-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 SLC6A3 1802/4885SLC6A2 3025/4885SLC6A4 2240/4885
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 SLC6A3 1802/4885SLC6A2 3025/4885SLC6A4 2240/4885

“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.

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