SCHEMBL5554546

SCHEMBL5554546

CCCCNC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2ccc(O)cc12

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.70
PTGS1 P23219 6/20 0.70
HRH4 Q9H3N8 2/20 0.55
TRPV1 Q8NER1 1/20 0.52
HDAC3 O15379 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC8 Q9BY41 3/20 0.51
HDAC6 Q9UBN7 3/20 0.51
HDAC2 Q92769 1/20 0.51
APP P05067 1/20 0.49
BCHE P06276 1/20 0.49
ACHE P22303 1/20 0.49

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
SCHEMBL5553933 0.94 PTGS2 (0.67) PTGS2PTGS1HRH4TRPV1HDAC3
SCHEMBL5559807 0.92 PTGS2 (0.67) PTGS2PTGS1HRH4TRPV1HDAC3
SCHEMBL5558489 0.90 PTGS2 (0.73) PTGS2PTGS1HRH4TRPV1HDAC3
SCHEMBL5553807 0.90 PTGS2 (0.85) PTGS2PTGS1HRH4TRPV1HDAC3
SCHEMBL5559534 0.90 PTGS2 (0.64) PTGS2PTGS1HRH4TRPV1
SCHEMBL5560431 0.89 PTGS2 (0.65) PTGS2PTGS1HRH4TRPV1HDAC3
SCHEMBL5558517 0.88 PTGS2 (0.69) PTGS2PTGS1HRH4TRPV1HDAC3
SCHEMBL5559265 0.87 PTGS2 (0.68) PTGS2PTGS1HRH4TRPV1HDAC3
SCHEMBL5558689 0.87 PTGS2 (0.70) PTGS2PTGS1HRH4TRPV1HDAC3
SCHEMBL6466294 0.87 PTGS2 (0.63) PTGS2PTGS1HRH4TRPV1

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 PTGS2 3/4885PTGS1 6/4885HRH4 419/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885HRH4 353/4885

“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.