SCHEMBL6640962

SCHEMBL6640962

CC(=O)c1cccc(Cl)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.53
PBRM1 Q86U86 1/20 0.53
ALDH1A1 P00352 3/20 0.52
ITGB1 P05556 1/20 0.46
ITGA4 P13612 1/20 0.46
DPP4 P27487 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
MT-CO2 P00403 1/20 0.44
LMNA P02545 1/20 0.44
TTR P02766 1/20 0.44
PLA2G1B P04054 1/20 0.44
CYP1A2 P05177 1/20 0.44
PGR P06401 1/20 0.44
CYP3A4 P08684 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44

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
SCHEMBL3785600 0.88 ALDH1A1 (0.52) TSHRPBRM1ALDH1A1ITGB1ITGA4
SCHEMBL31356504 0.85 TSHR (0.65) TSHRPBRM1ALDH1A1DPP4KDM4E
SCHEMBL275485 0.85 TSHR (0.65) TSHRPBRM1ALDH1A1DPP4KDM4E
SCHEMBL598165 0.85 CA12 (0.48) TSHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL11585322 0.85 ALDH1A1 (0.53) TSHRPBRM1ALDH1A1DPP4KDM4E
SCHEMBL7286473 0.84 TSHR (0.59) TSHRPBRM1ALDH1A1KDM4EHSD17B10
SCHEMBL28702990 0.83 TSHR (0.63) TSHRPBRM1ALDH1A1DPP4KDM4E
SCHEMBL27672860 0.83 TSHR (0.63) TSHRPBRM1ALDH1A1DPP4KDM4E
SCHEMBL9725353 0.83 TSHR (0.57) TSHRPBRM1ALDH1A1DPP4KDM4E
SCHEMBL7778738 0.83 TSHR (0.63) TSHRPBRM1ALDH1A1DPP4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11045476-B2 Compounds and methods for inducing chondrogenesis THE SCRIPPS RESEARCH INSTITUTE (US) 2021-06-29 US disclosed
WO-2020163673-A1 INHIBITORS OF ADENYLATE-FORMING ENZYME MENE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-08-13 WO disclosed
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS THE SCRIPPS RESEARCH INSTITUTE 2020-06-18 US disclosed
CN-100369888-C N-alkanoylphenylalanine derivatives HOFFMANN LA ROCHE (CH) 2008-02-20 CN disclosed
EP-1005445-B1 N-ALKANOYLPHENYLALANINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-05-26 EP disclosed
EP-1403247-A1 N-Alkanoylphenylalanine derivatives F.HOFFMANN-LA ROCHE AG (CH) 2004-03-31 EP disclosed
US-6229011-B1 BINDING INHIBITORS BETWEEN VASCULAR ADHESION MOLECULE-1 AND ALPHA. BETA.INTEGRIN; USEFUL FOR THE TREATMENT OF CHRONIC INFLAMMATORY DISEASES SUCH AS MULTIPLE SCLEROSIS, ASTHMA, AND INFLAMMATORY BOWEL DISEASE HOFFMAN-LA ROCHE INC. 2001-05-08 US disclosed
CN-1281430-A N-alkanoylphenylalanine derivatives HOFFMANN LA ROCHE (CH) 2001-01-24 CN disclosed
EP-1005445-A1 N-ALKANOYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-07 EP disclosed
WO-1999010312-A1 N-ALKANOYLPHENYLALANINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-03-04 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 (2 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-11045476-B2 Compounds and methods for inducing chondrogenesis COL2A1, BMP4, COL1A1 TSHR 4582/4885PBRM1 4855/4885ALDH1A1 52/4885
US-20200188407-A1 COMPOUNDS AND METHODS FOR INDUCING CHONDROGENESIS COL2A1, BMP4, COL1A1 TSHR 4582/4885PBRM1 4855/4885ALDH1A1 52/4885

“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.