SCHEMBL10179136

SCHEMBL10179136

CS(=O)(=O)c1ccc2c(ccn2Cc2ccc(Br)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
GRM2 Q14416 1/20 0.37
P2RX7 Q99572 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
KCNH2 Q12809 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
KRAS P01116 1/20 0.34
HTR6 P50406 2/20 0.33
ERBB2 P04626 1/20 0.33
HTR7 P34969 1/20 0.33
NTSR1 P30989 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL14141758 0.81 KMT2A (0.39) PTGS2KMT2AATMKCNH2HTR6
SCHEMBL10181061 0.78 PTGS2 (0.37) PTGS2PTGDR2TP53
SCHEMBL10180209 0.78 CDK4 (0.41) HTR6
SCHEMBL10179526 0.77 PTGS2 (0.37) PTGS2HTR2AHTR2CKMT2AATM
SCHEMBL10179883 0.75 DRD2 (0.36) ATMTP53
SCHEMBL10180327 0.75 DRD2 (0.34) ATMTP53
SCHEMBL10179519 0.74 ATM (0.34) ATMTP53
SCHEMBL12544847 0.74 ATM (0.33) PTGS2MEN1KMT2AATMTP53
SCHEMBL10192325 0.74 TP53 (0.40) ATMTP53
SCHEMBL10192338 0.74 ATM (0.37) KMT2AATMHTR6TP53

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
US-20120245344-A1 GPR119 AGONIST NIPPON CHEMIPHAR CO., LTD. (JP) 2012-09-27 US disclosed
EP-2474540-A1 GPR119 AGONIST Nippon Chemiphar Co., Ltd. (JP) 2012-07-11 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-20120245344-A1 GPR119 AGONIST GPR119, GPR4, GPR55 PTGS2 2391/4885HTR2A 297/4885HTR2C 338/4885

“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.