SCHEMBL5554482

SCHEMBL5554482

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.38
TRPV1 Q8NER1 2/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL5554474 1.00 CCKBR (0.38) CCKBRTRPV1AKR1C3AKR1C2MEN1
SCHEMBL5559500 0.92 AKR1C3 (0.36) AKR1C3AKR1C2
SCHEMBL5559505 0.92 AKR1C3 (0.36) AKR1C3AKR1C2
SCHEMBL5800286 0.91 TRPV1 (0.36) TRPV1MEN1KMT2A
SCHEMBL5560610 0.91 TRPV1 (0.36) TRPV1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL5560619 0.91 TRPV1 (0.36) TRPV1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL5560614 0.91 TRPV1 (0.36) TRPV1AKR1C3AKR1C2MEN1KMT2A
SCHEMBL5809387 0.91 AKR1C3 (0.44) AKR1C3AKR1C2MEN1KMT2A
SCHEMBL5558328 0.91 AKR1C3 (0.36) AKR1C3AKR1C2MEN1KMT2A
SCHEMBL5809392 0.91 AKR1C3 (0.44) AKR1C3AKR1C2MEN1KMT2A

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 CCKBR 533/4885TRPV1 201/4885AKR1C3 585/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 CCKBR 876/4885TRPV1 1069/4885AKR1C3 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.