SCHEMBL2642432

SCHEMBL2642432

CS(=O)(=O)c1cccc(CF)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRB2 P47870 2/20 0.42
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
BCAT2 O15382 1/20 0.33
DDR1 Q08345 1/20 0.33
EPHX2 P34913 1/20 0.33
IAPP P10997 1/20 0.33
ENPP2 Q13822 1/20 0.32
SLC6A2 P23975 1/20 0.32
ITGAV P06756 1/20 0.32
HSD11B1 P28845 1/20 0.32
CDK2 P24941 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL30527264 0.80 ENPP2 (0.42) GABRA1GABRB2BCAT2ENPP2CDK2
SCHEMBL2642514 0.79 CCR2 (0.36) MEN1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2642430 0.79 SLC6A2 (0.35) GABRA1GABRB2MEN1CYP1A2CYP3A4
SCHEMBL11613629 0.75 GABRA1 (0.55) GABRA1GABRB2CYP2D6IAPPCDK2
SCHEMBL2642086 0.75 ALB (0.44) BCAT2ENPP2HSD11B1
SCHEMBL6828498 0.74 CDK2 (0.48) MEN1CYP3A4KMT2ABCAT2IAPP
SCHEMBL2642805 0.71 HSD11B1 (0.42) MEN1KMT2ABCAT2HSD11B1CA1
SCHEMBL6286174 0.71 TTR (0.46) CYP3A4BCAT2ENPP2CDK2CA12
SCHEMBL15779798 0.70 ALDH1A1 (0.56) GABRA1GABRB2CA12CA1CA2
SCHEMBL8367466 0.69 GABRA1 (0.61) GABRA1GABRB2CYP1A2IAPPHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687502-B2 Substituted quinazoline or pyridopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-03-30 US disclosed
US-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative MSD K.K. (JP) 2008-02-07 US disclosed
EP-1734040-A1 SUBSTITUTED QUINAZOLINE OR PYRIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-12-20 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-20080032996-A1 Substituted Quinazoline or Pyridopyrimidine Derivative GCK, GCKR, PDXK GABRA1 2810/4885GABRB2 2347/4885MEN1 3505/4885

“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.