SCHEMBL5554430

SCHEMBL5554430

Cc1ccc(C(=S)n2c(C)c(CC(=O)NCC(C)C(=O)O)c3cc(O)c(F)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.42
PTGS1 P23219 1/20 0.37
MAPT P10636 1/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 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
SCHEMBL5559776 0.91 PTGS2 (0.51) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5559323 0.89 PTGS2 (0.45) PTGS2PTGS1MAPT
SCHEMBL6423778 0.89 PTGS2 (0.46) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL6426071 0.87 PTGS2 (0.41) PTGS2MAPTAKR1C3AKR1C2
SCHEMBL5554461 0.87 THRA (0.40) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5558168 0.87 PTGS2 (0.40) PTGS2PTGS1MAPTAKR1C3AKR1C2
SCHEMBL5559680 0.86 PTGS2 (0.43) PTGS2MAPTAKR1C3AKR1C2
SCHEMBL6424667 0.85 PTGS2 (0.40) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5554425 0.85 PTGS2 (0.51) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL6425150 0.85 PTGS2 (0.47) PTGS2PTGS1MAPTAKR1C3AKR1C2

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 PTGS2 3/4885PTGS1 6/4885MAPT 4214/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885MAPT 4401/4885

“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.