SCHEMBL6178762

SCHEMBL6178762

CS(=O)(=O)c1ccc(N=Cc2ccc(F)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.71
CA2 P00918 8/20 0.71
CA9 Q16790 6/20 0.71
CA1 P00915 6/20 0.71
PTGS1 P23219 6/20 0.71
CA12 O43570 5/20 0.71
CA7 P43166 1/20 0.57
FAAH O00519 1/20 0.53
MGLL Q99685 1/20 0.53
AKR1C2 P52895 1/20 0.49
AKR1C1 Q04828 1/20 0.49
AKR1C3 P42330 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
SCHEMBL7847235 1.00 PTGS2 (0.71) PTGS2CA2CA9CA1PTGS1
SCHEMBL18719790 0.85 PTGS2 (0.73) PTGS2CA2CA9CA1PTGS1
SCHEMBL5311683 0.83 PTGS2 (1.00) PTGS2CA2CA9CA1PTGS1
SCHEMBL5311687 0.83 PTGS2 (1.00) PTGS2CA2CA9CA1PTGS1
SCHEMBL18719785 0.83 CA2 (0.71) PTGS2CA2CA9CA1PTGS1
SCHEMBL5312314 0.83 PTGS2 (1.00) PTGS2CA2CA9CA1PTGS1
SCHEMBL18719797 0.83 CA2 (0.57) PTGS2CA2CA9CA1PTGS1
SCHEMBL5312313 0.83 PTGS2 (1.00) PTGS2CA2CA9CA1PTGS1
SCHEMBL5312322 0.83 PTGS2 (0.70) PTGS2CA2CA9CA1PTGS1
SCHEMBL5312325 0.83 PTGS2 (0.70) PTGS2CA2CA9CA1PTGS1

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-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 23/4885CA2 1713/4885CA9 1440/4885

“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.