SCHEMBL3383530

SCHEMBL3383530

Cc1ccccc1C(CN)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.49
ACP3 P15309 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ESR1 P03372 1/20 0.39
SLC1A3 P43003 1/20 0.38
SLC1A2 P43004 1/20 0.38
SLC1A1 P43005 1/20 0.38
CYP1A2 P05177 1/20 0.38
TSHR P16473 1/20 0.38
GABBR2 O75899 1/20 0.38
GABBR1 Q9UBS5 1/20 0.38
MYC P01106 1/20 0.37
CYP2C19 P33261 1/20 0.37
HPGD P15428 1/20 0.37
CTSA P10619 1/20 0.37
NR3C2 P08235 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL28846714 0.87 ROCK2 (0.47) ROCK2ACP3ALDH1A1ESR1GABBR2
SCHEMBL1928791 0.83 ACP3 (0.43) ACP3ALDH1A1ESR1CYP1A2TSHR
SCHEMBL1857873 0.83 ACP3 (0.43) ACP3ALDH1A1SMN1; SMN2ESR1SLC1A3
Water SCHEMBL8545817 0.81 ACP3 (0.42) ACP3ALDH1A1ESR1CYP1A2TSHR
SCHEMBL10525325 0.81 CYP1A2 (0.57) ALDH1A1CYP1A2TSHRCTSAMEN1
SCHEMBL1261298 0.81 PTGS1 (0.44) ACP3ALDH1A1SMN1; SMN2ESR1CYP1A2
SCHEMBL18215051 0.81 ACP3 (0.42) ACP3ALDH1A1SMN1; SMN2ESR1CYP1A2
SCHEMBL15270547 0.81 ACP3 (0.42) ACP3ALDH1A1SMN1; SMN2ESR1CYP1A2
SCHEMBL6262528 0.80 ACP3 (0.41) ACP3ALDH1A1ESR1CYP1A2TSHR
SCHEMBL8425190 0.80 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CYP1A2TSHRGABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415480-B2 Thiazolidine carboxamide derivatives as modulators of the prostaglandin F receptor MERCK SERONO SA (CH) 2013-04-09 US disclosed
EP-1487442-B1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR MERCK SERONO SA (CH) 2010-12-01 EP disclosed
US-20050215605-A1 Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor MERCK SERONO SA (CH) 2005-09-29 US disclosed
EP-1487442-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR Applied Research Systems ARS Holding N.V. (AN) 2004-12-22 EP disclosed
WO-2003082278-A1 THIAZOLIDINE CARBOXAMIDE DERIVATIVES AS MODULATORS OF THE PROSTAGLANDIN F RECEPTOR APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-10-09 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 (1 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-20050215605-A1 Thiazolidine carboxamide derivatives as modulators of the prostaglandin f receptor TBXA2R, CNR2, PTGDR ROCK2 4397/4885ACP3 4589/4885ALDH1A1 1062/4885

“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.