SCHEMBL5554552

SCHEMBL5554552

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.55
PTGS1 P23219 3/20 0.55
MAPT P10636 1/20 0.45
PTGES O14684 1/20 0.43
ALOX5 P09917 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
TP53 P04637 1/20 0.43
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43

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
SCHEMBL6424518 0.93 PTGS2 (0.56) PTGS2PTGS1MAPTHRH4
SCHEMBL5553841 0.91 PTGS2 (0.59) PTGS2PTGS1MAPTHRH4
SCHEMBL5559400 0.91 PTGS2 (0.58) PTGS2PTGS1MAPTPTGESALOX5
SCHEMBL5560002 0.91 PTGS2 (0.56) PTGS2PTGS1MAPTHRH4
SCHEMBL5559028 0.90 PTGS2 (0.56) PTGS2PTGS1MAPTPTGESALOX5
SCHEMBL5559359 0.90 PTGS2 (0.67) PTGS2PTGS1MAPTPTGESALOX5
SCHEMBL5554278 0.89 PTGS2 (0.56) PTGS2PTGS1MAPTHRH4AKR1C3
SCHEMBL6426638 0.89 PTGS2 (0.44) PTGS2PTGS1MAPTPTGESALOX5
SCHEMBL5554389 0.88 PTGS2 (0.58) PTGS2PTGS1MAPT
SCHEMBL5559145 0.88 PTGS2 (0.54) PTGS2PTGS1MAPT

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 6/4885MAPT 4214/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885MAPT 4401/4885

“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.