SCHEMBL5560229

SCHEMBL5560229

COc1ccc2c(c1Cl)c(CC(=O)NC(C)(C)C(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.54
TP53 P04637 1/20 0.53
PTGS1 P23219 5/20 0.51
NPSR1 Q6W5P4 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.49
AKR1C3 P42330 4/20 0.48
AKR1C2 P52895 3/20 0.48
ABCB1 P08183 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
PTGES O14684 1/20 0.48
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
MT-CO2 P00403 1/20 0.48
LMNA P02545 1/20 0.48
ALB P02768 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL5560401 0.88 PTGS2 (0.67) PTGS2TP53PTGS1NPSR1SMN1; SMN2
SCHEMBL5555074 0.87 PTGS2 (0.49) PTGS2PTGS1NPSR1MAPTKMT2A
SCHEMBL6425516 0.86 PTGS2 (0.66) PTGS2TP53PTGS1NPSR1MAPT
SCHEMBL6424001 0.86 PTGS2 (0.58) PTGS2TP53PTGS1NPSR1SMN1; SMN2
SCHEMBL5560626 0.85 PTGS2 (0.56) PTGS2TP53PTGS1NPSR1SMN1; SMN2
SCHEMBL5559982 0.85 PTGS2 (0.58) PTGS2TP53PTGS1
SCHEMBL5558495 0.84 PTGS2 (0.56) PTGS2TP53PTGS1AKR1C3AKR1C2
SCHEMBL5554565 0.84 PTGS2 (0.60) PTGS2TP53PTGS1
SCHEMBL5553970 0.84 PTGS2 (0.59) PTGS2TP53PTGS1
SCHEMBL5554350 0.84 PTGS2 (0.68) PTGS2TP53PTGS1

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
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP 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 3/4885TP53 4851/4885PTGS1 6/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885TP53 4785/4885PTGS1 7/4885

“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.