SCHEMBL5560858

SCHEMBL5560858

Cc1ccc(C(=S)n2c(C)c(C(C(=O)O)C(C)C)c3cc(O)c(Cl)cc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
PTGS1 P23219 1/20 0.31
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
ENPP3 O14638 1/20 0.30
ALPL P05186 1/20 0.30
XIAP P98170 1/20 0.30

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
SCHEMBL6425701 0.90 PTGS2 (0.39) PTGS2CA1CA2PTGS1CNR1
SCHEMBL6425847 0.90 CA1 (0.36) PTGS2CA1CA2PTGS1
SCHEMBL6426702 0.90 CA1 (0.36) PTGS2CA1CA2PTGS1
SCHEMBL5558576 0.90 CA1 (0.36) PTGS2CA1CA2PTGS1
SCHEMBL6424358 0.89 PTGS2 (0.40) PTGS2PTGS1ENPP3ALPLXIAP
SCHEMBL6424955 0.88 BCL2 (0.30)
SCHEMBL6427391 0.87 PTGS2 (0.45) PTGS2PTGS1
SCHEMBL6425703 0.87 BCL2 (0.32) PTGS2CA1CA2PTGS1
SCHEMBL6424524 0.84 POLB (0.34) PTGS2CA1CA2PTGS1
SCHEMBL6426755 0.83 HTR1E (0.33) CNR1CNR2

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 4 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
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 (1 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885CA1 960/4885CA2 1164/4885

“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.