SCHEMBL5555608

SCHEMBL5555608

Cc1c(C(C)C(=O)NC(C)(C)C(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.43
PTGS1 P23219 3/20 0.43
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
SLC6A2 P23975 2/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
ITGA5 P08648 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRNA3 P32297 1/20 0.36
CYP2C19 P33261 1/20 0.36
HRH1 P35367 1/20 0.36
CHRNA7 P36544 1/20 0.36
OPRK1 P41145 1/20 0.36
CHRNA4 P43681 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CHRND Q07001 1/20 0.36

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
SCHEMBL5555602 1.00 PTGS2 (0.43) PTGS2PTGS1CNR1CNR2SLC6A2
SCHEMBL5561217 0.90 PTGS2 (0.43) PTGS2PTGS1CNR1CNR2SLC6A2
SCHEMBL5555412 0.90 PTGS2 (0.55) PTGS2PTGS1CNR2SLC6A3MEN1
SCHEMBL5554424 0.90 PTGS2 (0.55) PTGS2PTGS1CNR2SLC6A3MEN1
SCHEMBL5560092 0.90 PTGS2 (0.55) PTGS2PTGS1CNR2SLC6A3MEN1
SCHEMBL5559434 0.89 AKR1C3 (0.42) PTGS2PTGS1CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL5559436 0.89 AKR1C3 (0.42) PTGS2PTGS1CYP2C19ALDH1A1SMN1; SMN2
SCHEMBL5559269 0.88 PTGS2 (0.44) PTGS2PTGS1PPARG
SCHEMBL5559275 0.88 PTGS2 (0.44) PTGS2PTGS1PPARG
SCHEMBL6425503 0.86 SLC6A2 (0.35) PTGS2CNR1CNR2SLC6A2CHRNA1

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 6/4885CNR1 18/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885CNR1 55/4885

“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.