SCHEMBL3328720

SCHEMBL3328720

CCc1ccc2c(O)cc(C(=O)O)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IGFBP5 P24593 7/20 0.50
IGFBP3 P17936 2/20 0.50
ELANE P08246 2/20 0.45
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TRPA1 O75762 1/20 0.41
ALOX15 P16050 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCAR2 Q8TDS4 1/20 0.38

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
SCHEMBL2908197 0.89 ALDH1A1 (0.49) IGFBP5IGFBP3ALDH1A1POLBTSHR
SCHEMBL2909395 0.86 IGFBP5 (0.51) IGFBP5IGFBP3ALOX15HCAR2
SCHEMBL2908954 0.85 ELANE (0.43) IGFBP5ELANEALDH1A1TSHRTRPA1
SCHEMBL2905327 0.80 GRM2 (0.49) IGFBP5IGFBP3ALDH1A1MEN1KMT2A
SCHEMBL27638030 0.79 GAA (0.44) ELANEALDH1A1POLBTSHRMAPK1
SCHEMBL2905794 0.79 IGFBP5 (0.46) IGFBP5IGFBP3ALDH1A1TSHRALOX15
SCHEMBL2902980 0.78 ALOX15 (0.47) IGFBP5IGFBP3ALDH1A1POLBTSHR
SCHEMBL12523305 0.78 MGAM (0.53) ELANEALDH1A1POLBTSHRMAPK1
SCHEMBL2907650 0.77 IGFBP3 (0.43) IGFBP5IGFBP3ALDH1A1TSHRALOX15
SCHEMBL2903370 0.77 ALDH1A1 (0.43) ALDH1A1POLBTSHRMAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8669266-B2 Quinoline-carboxamide derivatives as P2Y12 antagonists SANOFI (FR) 2014-03-11 US disclosed
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2010-06-03 US disclosed
EP-2148871-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-02-03 EP disclosed
WO-2008128647-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2008-10-30 WO disclosed
EP-1633737-A1 QUINOLYL AMIDE DERIVATIVES AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2006-03-15 EP disclosed
US-20050020605-A1 Quinolyl amide derivatives as CCR-5 antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-27 US disclosed
WO-2004113323-A1 QUINOLYL AMIDE DERIVATIVES AS CCR-5 ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-12-29 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-20050020605-A1 Quinolyl amide derivatives as CCR-5 antagonists CCRL2, CCR5, CCR1 IGFBP5 650/4885IGFBP3 3268/4885ELANE 730/4885
US-20100135999-A1 QUINOLINE-CARBOXAMIDE DERIVATIVES AS P2Y12 ANTAGONISTS P2RY12, P2RY1, P2RY2 IGFBP5 4773/4885IGFBP3 4851/4885ELANE 1951/4885

“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.