SCHEMBL310089

SCHEMBL310089

CS(=O)(=O)c1cc(O)cc(-c2ccccn2)c1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.49
PTGS1 P23219 2/20 0.49
SCD O00767 1/20 0.47
CBFB Q13951 1/20 0.45
KAT6A Q92794 6/20 0.44
ERN1 O75460 1/20 0.43
TGFBR1 P36897 1/20 0.42
KDM4A O75164 1/20 0.41
KDM4B O94953 1/20 0.41
KDM5C P41229 1/20 0.41
KDM5B Q9UGL1 1/20 0.41
GPR39 O43194 1/20 0.41
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYP2A6 P11509 1/20 0.40

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
SCHEMBL6067871 0.80 KDM4E (0.54) CBFBERN1KDM4AKDM5CCYP2A6
Hydrochloric Acid SCHEMBL6068087 0.78 KDM4E (0.52) CBFBERN1KDM4AKDM5CCYP2A6
SCHEMBL8229590 0.77 PTGS2 (0.64) PTGS2PTGS1SCDCBFBTGFBR1
SCHEMBL309425 0.77 EGFR (0.49) PTGS2
SCHEMBL23525598 0.76 PKMYT1 (0.52) KAT6AERN1CYP2A6
SCHEMBL8623707 0.76 CCR1 (0.55) PTGS2PTGS1SCDCBFBKDM4A
SCHEMBL30610279 0.76 PKMYT1 (0.52) KAT6AERN1CYP2A6
SCHEMBL309551 0.74 LOX (0.49) PTGS2PTGS1SCDERN1
SCHEMBL21390791 0.74 EGFR (0.49) KAT6AERN1KDM4AKDM5CCYP2A6
SCHEMBL309954 0.73 PTGS2 (0.56) PTGS2PTGS1ERN1CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093253-B2 Leukotriene B4 inhibitors HOFFMANN-LA ROCHE INC. (US) 2012-01-10 US disclosed
EP-2250150-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-11-17 EP disclosed
WO-2009109483-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227603-A1 LEUKOTRIENE B4 INHIBITORS DOMINIQUE ROMYR 2009-09-10 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-20090227603-A1 LEUKOTRIENE B4 INHIBITORS LTB4R2, LTB4R, LTC4S PTGS2 40/4885PTGS1 31/4885SCD 256/4885

“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.