SCHEMBL5560571

SCHEMBL5560571

Cc1c(CC(=O)NC(C)(C)C(=O)O)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SHMT1 P34896 7/20 0.41
SHMT2 P34897 2/20 0.40
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 3/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PTGS2 P35354 4/20 0.39
ANO1 Q5XXA6 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
PTGS1 P23219 3/20 0.37
ABCB1 P08183 1/20 0.36
PLA2G2A P14555 2/20 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
SCHEMBL5558530 0.92 AKR1C3 (0.44) SHMT1SHMT2AKR1C3AKR1C2TP53
SCHEMBL5559996 0.90 AKR1C3 (0.41) SHMT1SHMT2AKR1C3AKR1C2TP53
SCHEMBL5560690 0.90 AKR1C3 (0.48) AKR1C3AKR1C2TP53MAPTPTGS2
SCHEMBL5559055 0.90 PTGS2 (0.40) SHMT1SHMT2AKR1C3AKR1C2TP53
SCHEMBL5560471 0.88 PTGS2 (0.39) SHMT1SHMT2AKR1C3AKR1C2TP53
SCHEMBL5800317 0.88 PTGS2 (0.39) SHMT1SHMT2AKR1C3AKR1C2TP53
SCHEMBL6423105 0.88 PTGS2 (0.46) AKR1C3AKR1C2TP53MAPTPTGS2
SCHEMBL5554429 0.86 AKR1C3 (0.50) AKR1C3AKR1C2MAPTPTGS2CNR1
SCHEMBL5558661 0.86 AKR1C3 (0.44) SHMT1SHMT2AKR1C3AKR1C2TP53
SCHEMBL6465491 0.86 PTGS2 (0.41) AKR1C3AKR1C2TP53MAPTPTGS2

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 SHMT1 2399/4885SHMT2 1477/4885AKR1C3 585/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 SHMT1 891/4885SHMT2 564/4885AKR1C3 577/4885

“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.