SCHEMBL5560460

SCHEMBL5560460

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.44
AKR1C2 P52895 5/20 0.44
BCL2L1 Q07817 2/20 0.39
PTGS2 P35354 10/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GPR139 Q6DWJ6 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
SCHEMBL5801040 0.96 AKR1C3 (0.41) AKR1C3AKR1C2BCL2L1PTGS2LMNA
SCHEMBL6423794 0.91 PTGS2 (0.44) AKR1C3AKR1C2BCL2L1PTGS2
SCHEMBL5559178 0.91 AKR1C3 (0.41) AKR1C3AKR1C2BCL2L1PTGS2LMNA
SCHEMBL5553993 0.91 PTGS2 (0.48) AKR1C3AKR1C2PTGS2LMNATSHR
SCHEMBL5553986 0.91 PTGS2 (0.48) AKR1C3AKR1C2PTGS2LMNATSHR
SCHEMBL5560684 0.90 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2CYP2D6TSHR
SCHEMBL5560407 0.90 AKR1C3 (0.42) AKR1C3AKR1C2BCL2L1PTGS2LMNA
SCHEMBL6424396 0.89 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2LMNACYP1A2
SCHEMBL6424981 0.89 PTGS2 (0.43) AKR1C3AKR1C2BCL2L1PTGS2
SCHEMBL6465001 0.87 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2LMNACYP1A2

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 AKR1C3 585/4885AKR1C2 342/4885BCL2L1 1011/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885BCL2L1 2617/4885

“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.