SCHEMBL6180979

SCHEMBL6180979

CS(=O)(=O)c1ccc(-n2cncc2-c2ccc(F)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.63
PTGS1 P23219 4/20 0.60
IDO1 P14902 1/20 0.52
TDO2 P48775 1/20 0.52

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
SCHEMBL6294248 1.00 PTGS2 (0.63) PTGS2PTGS1IDO1TDO2
SCHEMBL6289849 0.87 PTGS2 (0.59) PTGS2PTGS1IDO1TDO2
SCHEMBL6291198 0.86 PTGS2 (0.60) PTGS2PTGS1IDO1
SCHEMBL6289834 0.86 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6291219 0.86 PTGS2 (0.58) PTGS2PTGS1IDO1TDO2
SCHEMBL5698592 0.86 IDO1 (0.52) PTGS2PTGS1IDO1TDO2
SCHEMBL6293882 0.85 IDO1 (0.49) PTGS2PTGS1IDO1TDO2
SCHEMBL6289800 0.84 PTGS2 (0.61) PTGS2PTGS1IDO1TDO2
SCHEMBL6291235 0.84 PTGS2 (0.59) PTGS2PTGS1IDO1TDO2
SCHEMBL6291197 0.84 PTGS2 (0.62) PTGS2PTGS1IDO1TDO2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6838476-B1 Cyclooxygenase inhibitors; anticancer agents J. URIACH & CIA, SA (ES) 2005-01-04 US claimed
EP-1122243-B1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2004-09-08 EP claimed
EP-1122243-A1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2001-08-08 EP claimed
EP-1281709-B1 NOVEL HETEROCYCLIC COMPOUNDS WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2005-02-16 EP disclosed
US-6838476-B1 Cyclooxygenase inhibitors; anticancer agents J. URIACH & CIA, SA (ES) 2005-01-04 US disclosed
EP-1122243-B1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY URIACH Y COMPANIA S A J (ES) 2004-09-08 EP disclosed
US-20030114456-A1 Novel heterocylic compounds with anti-inflamatory activity J. URIACH & CIA, S.A. (ES) 2003-06-19 US disclosed
EP-1281709-A1 NOVEL HETEROCYCLIC COMPOUNDS WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2003-02-05 EP disclosed
EP-1122243-A1 NOVEL IMIDAZOLES WITH ANTI-INFLAMMATORY ACTIVITY J. URIACH & CIA. S.A. (ES) 2001-08-08 EP 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-20030114456-A1 Novel heterocylic compounds with anti-inflamatory activity IL1B, IL1A, NFKBIA PTGS2 23/4885PTGS1 7/4885IDO1 143/4885

“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.