SCHEMBL6180422

SCHEMBL6180422

C[S+]([O-])c1ccc(-n2cncc2-c2ccc(F)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
PTGS2 P35354 10/20 0.37
CYP11B1 P15538 2/20 0.37
CYP11B2 P19099 2/20 0.37
CRBN Q96SW2 2/20 0.36
PTGS1 P23219 2/20 0.36
FLT3 P36888 1/20 0.35

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
SCHEMBL6773232 0.80 PTGS2 (0.43) HSP90AA1HSP90AB1PTGS2CRBNPTGS1
SCHEMBL19953122 0.78 HSP90AA1 (0.46) HSP90AA1HSP90AB1CYP11B1CYP11B2FLT3
SCHEMBL6180979 0.78 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL6294248 0.78 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL10773460 0.77 FLT3 (0.55) HSP90AA1HSP90AB1CYP11B1CYP11B2FLT3
SCHEMBL25611833 0.77 FLT3 (0.47) HSP90AA1HSP90AB1CYP11B1CYP11B2FLT3
SCHEMBL6294332 0.77 MAPK14 (0.54) HSP90AA1HSP90AB1PTGS2CYP11B1CYP11B2
SCHEMBL15208735 0.76 IDO1 (0.36) PTGS2CRBNPTGS1
SCHEMBL6289834 0.75 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL5698464 0.73 MAPK14 (0.44) PTGS2PTGS1FLT3

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 HSP90AA1 418/4885HSP90AB1 475/4885PTGS2 23/4885

“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.