SCHEMBL5809963

SCHEMBL5809963

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

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.63
PTGS1 P23219 6/20 0.63
ABCB1 P08183 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
PTGES O14684 1/20 0.50
ABCC3 O15438 1/20 0.50
ABCC4 O15439 1/20 0.50
ABCB11 O95342 1/20 0.50
MT-CO2 P00403 1/20 0.50
LMNA P02545 1/20 0.50
ALB P02768 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALOX5 P09917 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
CXCL8 P10145 1/20 0.50
AR P10275 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CHRM1 P11229 1/20 0.50

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
SCHEMBL5559093 0.92 PTGS2 (0.61) PTGS2PTGS1HRH4
SCHEMBL5560198 0.92 PTGS2 (0.60) PTGS2PTGS1HRH4TP53
SCHEMBL5558243 0.91 PTGS2 (0.66) PTGS2PTGS1HRH4
SCHEMBL5559675 0.91 PTGS2 (0.52) PTGS2PTGS1AKR1C3AKR1C2HRH4
SCHEMBL5442429 0.90 PTGS1 (0.77) PTGS2PTGS1ABCB1KDM4EMEN1
SCHEMBL5560534 0.90 PTGS2 (0.61) PTGS2PTGS1
SCHEMBL5560648 0.90 PTGS2 (0.60) PTGS2PTGS1HRH4
SCHEMBL5798265 0.90 PTGS2 (0.53) PTGS2PTGS1ABCB1KDM4EMEN1
SCHEMBL5559372 0.90 PTGS2 (0.62) PTGS2PTGS1MAPTKMT2ANPSR1
SCHEMBL5554515 0.90 PTGS2 (0.60) PTGS2PTGS1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO 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

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.