SCHEMBL5560068

SCHEMBL5560068

CNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2cc(Cl)c(OC)cc12

nearest known ligand 0.79

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.79
PTGS1 P23219 4/20 0.79
TP53 P04637 1/20 0.61
NPSR1 Q6W5P4 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPT P10636 3/20 0.59
KMT2A Q03164 1/20 0.59
AKR1C3 P42330 2/20 0.58
CNR2 P34972 1/20 0.58
AKR1C2 P52895 1/20 0.58

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
SCHEMBL6423449 0.94 PTGS2 (0.70) PTGS2PTGS1TP53NPSR1SMN1; SMN2
SCHEMBL5559454 0.92 PTGS2 (0.67) PTGS2PTGS1TP53NPSR1SMN1; SMN2
SCHEMBL5559478 0.92 PTGS2 (0.67) PTGS2PTGS1TP53NPSR1SMN1; SMN2
SCHEMBL5553815 0.90 PTGS2 (0.76) PTGS2PTGS1TP53
SCHEMBL5554229 0.89 PTGS2 (0.64) PTGS2PTGS1TP53NPSR1SMN1; SMN2
SCHEMBL6423621 0.89 PTGS2 (0.75) PTGS2PTGS1
SCHEMBL5800363 0.89 PTGS2 (0.64) PTGS2PTGS1TP53NPSR1SMN1; SMN2
SCHEMBL2006053 0.89 PTGS2 (1.00) PTGS2PTGS1NPSR1MAPTKMT2A
SCHEMBL5560466 0.88 PTGS2 (0.74) PTGS2PTGS1
SCHEMBL5554741 0.88 PTGS2 (0.75) PTGS2PTGS1

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 3/4885PTGS1 6/4885TP53 4851/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885TP53 4785/4885

“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.