Sugi Predict

Sugi Predict / Compounds / SCHEMBL3674481

SCHEMBL3674481

SCHEMBL3674481

CCC(C(=O)O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.61
▸ ALDH1A1 P00352 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2C9 P11712 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ AKR1C3 P42330 12/20 0.58
▸ AKR1C2 P52895 12/20 0.58
▸ KCNQ2 O43526 1/20 0.53
▸ ACP3 P15309 2/20 0.50
▸ CES2 O00748 1/20 0.50
▸ PNMT P11086 1/20 0.50
▸ AKR1C1 Q04828 3/20 0.48
▸ AKR1B10 O60218 2/20 0.48
▸ AKR1C4 P17516 2/20 0.48
▸ CHRM2 P08172 1/20 0.47
▸ CHRM4 P08173 1/20 0.47
▸ CHRM3 P20309 1/20 0.47

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
SCHEMBL11755469 0.88 TAS1R3 (0.52) MEN1ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL23539801 0.86 CYP1A2 (0.56) MEN1ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL6368429 0.86 CHRM2 (0.54) MEN1ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL28132598 0.86 AKR1C3 (0.47) MEN1ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL6368425 0.86 CHRM2 (0.54) MEN1ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL6368432 0.86 CHRM2 (0.54) MEN1ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL27501995 0.86 PNMT (0.51) MEN1ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL7783781 0.85 ALDH1A1 (0.60) MEN1ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL10899123 0.85 EPHX1 (0.53) MEN1ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL21194004 0.84 PNMT (0.62) MEN1ALDH1A1CYP1A2POLBCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195053-B Amino acid compounds and methods of use 普利安特治疗公司 2024-08-30 — — CN disclosed
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS PLIANT THERAPEUTICS INC (US) 2024-08-15 — — US disclosed
US-11952376-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2024-04-09 — — US disclosed
CN-111718228-B Method for synthesizing carboxylic acid for prolonging two carbon chains by one step from olefin 兰州大学 2022-10-18 — — CN disclosed
US-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2022-05-12 — — US disclosed
US-11180494-B2 Substituted amino acids as integrin inhibitors PLIANT THERAPEUTICS, INC. (US) 2021-11-23 — — US disclosed
CN-113195053-A Amino acid compounds and methods of use 普利安特治疗公司 2021-07-30 — — CN disclosed
CN-111718228-A Method for synthesizing carboxylic acid for prolonging two carbon chains by olefin in one step 兰州大学 2020-09-29 — — CN disclosed
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2020-04-09 — — US disclosed
US-7812038-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS, INC. (US) 2010-10-12 — — US disclosed
EP-1844038-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2007-10-17 — — EP disclosed
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors BIEDIGER RONALD J 2006-12-07 — — US disclosed
WO-2006065484-A2 CHROMANYLUREA COMPOUNDS THAT INHIBIT VANILLOID RECEPTOR SUBTYPE 1 (VR1) RECEPTOR AND USES THEREOF ABBOTT LABORATORIES (US) 2006-06-22 — — WO disclosed
US-6972296-B2 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors ENCYSIVE PHARMACEUTICALS INC. (US) 2005-12-06 — — US disclosed
US-5089639-A N-CYCLOALKYLALKYLAMINES, PROCESS FOR THEIR PREPARATION, THEIR USE AS A MEDICAMENT AND THEIR SYNTHESIS INTERMEDIATES JOUVEINAL S.A. (FR) 1992-02-18 — — US disclosed
US-4054665-A 2-Amino-5-(trifluoromethylphenylalkyl)-1,3,4 thiadiazoles used in the treatment of insomnia and anxiety SANDOZ, INC. (US) 1977-10-18 — — US disclosed
US-3965110-A 2-Amino-5-(trifluoromethyl phenylalkyl)-1,3,4-thiadiazoles SANDOZ, INC. (US) 1976-06-22 — — US 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 (6 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-20220144829-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL MEN1 3854/4885ALDH1A1 1981/4885CYP1A2 4219/4885
US-20060276476-A1 Carboxylic acid derivatives that inhibit the binding of integrins to their receptors VCAM1, ICAM1, ITGA1 MEN1 3955/4885ALDH1A1 53/4885CYP1A2 2894/4885
US-20200109141-A1 AMINO ACID COMPOUNDS AND METHODS OF USE ITGB6, ITGA1, ITGAL MEN1 3854/4885ALDH1A1 1981/4885CYP1A2 4219/4885
US-11952376-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 MEN1 4341/4885ALDH1A1 2168/4885CYP1A2 4262/4885
US-11180494-B2 Substituted amino acids as integrin inhibitors ITGB6, ITGA1, ITGB1 MEN1 4341/4885ALDH1A1 2168/4885CYP1A2 4262/4885
US-20240270742-A1 SUBSTITUTED AMINO ACIDS AS INTEGRIN INHIBITORS ITGB6, ITGA1, ITGB1 MEN1 4341/4885ALDH1A1 2168/4885CYP1A2 4262/4885

“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.