SCHEMBL5267147

SCHEMBL5267147

COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)nc3ncccn23)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.54
PTGS1 P23219 3/20 0.45
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 2/20 0.42
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL7216261 0.96 PTGS2 (0.52) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL7221442 0.87 ROCK2 (0.46) PTGS2KDM4EALDH1A1RAB9ANPC1
SCHEMBL7216630 0.86 PTGS2 (0.50) PTGS2KDM4EALDH1A1RAB9ANPC1
SCHEMBL7220911 0.84 PTGS2 (0.50) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL5263568 0.84 MAPT (0.48) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL7215555 0.83 KDM4E (0.60) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL5261561 0.83 KDM4E (0.59) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL7220519 0.83 KDM4E (0.59) PTGS2PTGS1KDM4EALDH1A1RAB9A
SCHEMBL5264827 0.82 ALDH1A1 (0.56) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL5262649 0.82 ALDH1A1 (0.54) PTGS2KDM4EALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660500-B1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER S A L V A T LAB SA (ES) 2007-12-12 EP disclosed
US-20060189631-A1 Substituted imidazopyrimidines for the prevention and treatment of cancer LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-08-24 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-20060189631-A1 Substituted imidazopyrimidines for the prevention and treatment of cancer BRCA1, CCNA1, DPYD PTGS2 1467/4885PTGS1 596/4885KDM4E 3211/4885

“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.