SCHEMBL5554397

SCHEMBL5554397

COc1cc2c(CC(=O)NCC(=O)O)c(C)n(C(=O)c3ccc(Br)cc3)c2cc1Cl

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.68
PTGS1 P23219 6/20 0.68
ABCB1 P08183 2/20 0.49
HRH4 Q9H3N8 1/20 0.49
TP53 P04637 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
PTGES O14684 1/20 0.49
ABCC3 O15438 1/20 0.49
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
MT-CO2 P00403 1/20 0.49
LMNA P02545 1/20 0.49
ALB P02768 1/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX5 P09917 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
CXCL8 P10145 1/20 0.49
AR P10275 1/20 0.49
CYP2D6 P10635 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
SCHEMBL5559164 0.93 PTGS2 (0.71) PTGS2PTGS1ABCB1HRH4TP53
SCHEMBL5560721 0.93 PTGS2 (0.80) PTGS2PTGS1ABCB1HRH4TP53
SCHEMBL5558558 0.91 PTGS2 (0.66) PTGS2PTGS1HRH4TP53HDAC3
SCHEMBL5809154 0.91 PTGS2 (0.68) PTGS2PTGS1ABCB1HRH4TP53
SCHEMBL5560531 0.91 PTGS2 (0.65) PTGS2PTGS1HRH4TP53HDAC3
SCHEMBL5444258 0.90 PTGS2 (0.84) PTGS2PTGS1ABCB1KDM4EMEN1
SCHEMBL5800372 0.89 PTGS2 (0.53) PTGS2PTGS1ABCB1HRH4TP53
SCHEMBL5559201 0.89 PTGS2 (0.65) PTGS2PTGS1HRH4TP53HDAC3
SCHEMBL5554189 0.89 PTGS2 (0.65) PTGS2PTGS1HRH4HDAC3HDAC1
SCHEMBL5559478 0.89 PTGS2 (0.67) PTGS2PTGS1TP53MAPTAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 PTGS2 3/4885PTGS1 6/4885ABCB1 1471/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885ABCB1 2922/4885

“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.