SCHEMBL265813

SCHEMBL265813

O=C(O)CNC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.67
ALDH1A1 P00352 5/20 0.61
TSHR P16473 2/20 0.61
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.50
MME P08473 4/20 0.49
ACE P12821 3/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
MAPT P10636 1/20 0.49
ECE1 P42892 1/20 0.49
BLM P54132 1/20 0.49
NPEPPS P55786 1/20 0.49

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
SCHEMBL4291622 0.86 CTSL (0.51) CTSLALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL1955086 0.82 ALDH1A1 (0.52) CTSLALDH1A1TSHRMEN1KMT2A
SCHEMBL1957422 0.82 ALDH1A1 (0.52) CTSLALDH1A1TSHRMEN1KMT2A
SCHEMBL272046 0.82 CTSL (0.57) CTSLALDH1A1CTSSCTSK
SCHEMBL27642499 0.82 ALDH1A1 (0.52) CTSLALDH1A1TSHRMEN1KMT2A
SCHEMBL12823958 0.82 CTSL (0.57) CTSLALDH1A1CTSSCTSK
SCHEMBL6688986 0.81 CTSL (0.55) CTSLALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL29385523 0.80 CTSL (0.51) CTSLALDH1A1MEN1KMT2AMME
SCHEMBL30805357 0.80 CTSL (0.51) CTSLALDH1A1MEN1KMT2AMME
SCHEMBL3498845 0.79 CTSL (0.71) CTSLALDH1A1MEN1KMT2AMME

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-8133864-B2 PAR-2 agonist KOWA COMPANY, LTD. (JP) 2012-03-13 US disclosed
EP-1864994-B1 PAR-2 AGONIST KOWA CO (JP) 2011-10-26 EP disclosed
US-7910556-B2 PAR-2 agonist KOWA COMPANY, LTD. (JP) 2011-03-22 US disclosed
US-20090215703-A1 PAR-2 Agonist KOWA COMPANY, LTD. (JP) 2009-08-27 US disclosed
US-20090131330-A1 PAR-2 AGONIST KOWA CO., LTD. (JP) 2009-05-21 US disclosed
EP-1864994-A1 PAR-2 AGONIST Kowa Company, Ltd. (JP) 2007-12-12 EP disclosed
EP-1845104-A1 PAR-2 AGONIST Kowa Company. Ltd. (JP) 2007-10-17 EP 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-20090215703-A1 PAR-2 Agonist FPR2, F2RL1, FPR3 CTSL 1479/4885ALDH1A1 2984/4885TSHR 432/4885
US-20090131330-A1 PAR-2 AGONIST F2RL1, CNR2, FFAR2 CTSL 2762/4885ALDH1A1 2473/4885TSHR 632/4885

“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.