SCHEMBL5560684

SCHEMBL5560684

Cc1c(CC(=O)NC(C)C)c2c(F)c(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.43
AKR1C2 P52895 3/20 0.43
CYP3A4 P08684 2/20 0.40
PTGS2 P35354 12/20 0.40
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
TP53 P04637 1/20 0.37

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
SCHEMBL5553986 0.92 PTGS2 (0.48) AKR1C3AKR1C2PTGS2TSHRMAPT
SCHEMBL5553993 0.92 PTGS2 (0.48) AKR1C3AKR1C2PTGS2TSHRMAPT
SCHEMBL6424396 0.92 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2TSHRMAPT
SCHEMBL5558791 0.92 PTGS2 (0.42) AKR1C3AKR1C2PTGS2NPC1
SCHEMBL5554691 0.91 PTGS2 (0.43) PTGS2MAPTTP53
SCHEMBL5560460 0.90 AKR1C3 (0.44) AKR1C3AKR1C2PTGS2TSHRNPSR1
SCHEMBL6424911 0.89 AKR1C3 (0.45) AKR1C3AKR1C2PTGS2TSHRMAPT
SCHEMBL5559763 0.89 AKR1C3 (0.41) AKR1C3AKR1C2CYP3A4PTGS2TSHR
SCHEMBL5801149 0.87 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2TSHRMAPT
SCHEMBL5554380 0.87 PTGS2 (0.42) PTGS2

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 AKR1C3 585/4885AKR1C2 342/4885CYP3A4 325/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885CYP3A4 403/4885

“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.