SCHEMBL9922908

SCHEMBL9922908

COc1ccc2[nH]cc(-c3ccc(NC(=O)NS(=O)(=O)c4ccc(C)s4)cc3)c(=O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NLRP3 Q96P20 2/20 0.40
ROCK2 O75116 1/20 0.39
NAMPT P43490 1/20 0.39
LMNA P02545 3/20 0.39
HSD17B10 Q99714 2/20 0.39
IMPDH2 P12268 1/20 0.39
PDE4B Q07343 1/20 0.39
NR4A2 P43354 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HTR2C P28335 1/20 0.37
MTNR1A P48039 1/20 0.37
ALDH1A1 P00352 2/20 0.37

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
SCHEMBL12161691 0.91 MEN1 (0.49) DHODHKDM4EMAPTTP53MEN1
SCHEMBL9922220 0.88 MAPT (0.40) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL9923253 0.88 MAPT (0.41) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL9923257 0.88 HTR2C (0.43) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL14200782 0.81 P2RY12 (0.46) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL12161710 0.81 MEN1 (0.47) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL14113780 0.79 MEN1 (0.46) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL12161715 0.79 MEN1 (0.46) KDM4EMAPTTP53MEN1KMT2A
SCHEMBL9922391 0.79 ROCK1 (0.45) DHODHNLRP3
SCHEMBL12161720 0.79 MEN1 (0.46) KDM4EMAPTTP53MEN1KMT2A

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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 DHODH 2702/4885KDM4E 2312/4885MAPT 4832/4885

“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.