SCHEMBL14280457

SCHEMBL14280457

Cc1cc(-c2ccc(S(N)(=O)=O)cc2)n(-c2ccccc2)n1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.90
ALOX5 P09917 2/20 0.69
NPC1 O15118 1/20 0.68
RAB9A P51151 1/20 0.68
CYP2C9 P11712 2/20 0.67
PDPK1 O15530 4/20 0.62
PTGS1 P23219 4/20 0.61
CA9 Q16790 6/20 0.60
CA1 P00915 5/20 0.60
CA2 P00918 5/20 0.60
PTGES O14684 1/20 0.58
HDAC3 O15379 1/20 0.58
CA12 O43570 1/20 0.58
PDE5A O76074 1/20 0.58
ABCB11 O95342 1/20 0.58
MT-CO2 P00403 1/20 0.58
LMNA P02545 1/20 0.58
CA3 P07451 1/20 0.58
CYP3A4 P08684 1/20 0.58
ADORA3 P0DMS8 1/20 0.58

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
SCHEMBL5226958 0.94 PTGS2 (1.00) PTGS2ALOX5NPC1RAB9ACYP2C9
SCHEMBL2602400 0.89 PTGS2 (0.80) PTGS2ALOX5CYP2C9PDPK1PTGS1
SCHEMBL2615132 0.86 PTGS2 (0.76) PTGS2ALOX5CYP2C9PDPK1PTGS1
SCHEMBL5698671 0.86 PTGS2 (0.76) PTGS2PDPK1PTGS1
SCHEMBL5698606 0.86 PTGS2 (0.76) PTGS2PDPK1PTGS1
SCHEMBL2602398 0.86 PTGS2 (0.75) PTGS2ALOX5CYP2C9PDPK1PTGS1
SCHEMBL3103964 0.85 PTGS2 (0.78) PTGS2ALOX5CYP2C9PDPK1PTGS1
SCHEMBL29355263 0.84 PTGS2 (0.73) PTGS2ALOX5CYP2C9PDPK1PTGS1
SCHEMBL2602403 0.84 PDPK1 (0.74) PTGS2ALOX5CYP2C9PDPK1PTGS1
SCHEMBL12055053 0.82 PDPK1 (0.74) PTGS2ALOX5CYP2C9PDPK1CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027011-A1 Homogeneous paste and gel formulations MERIAL LIMITED 2008-01-31 US 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-20080027011-A1 Homogeneous paste and gel formulations EPX, CAT, PEF1 PTGS2 329/4885ALOX5 1571/4885NPC1 3039/4885

“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.