SCHEMBL9922185

SCHEMBL9922185

COc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)C3=CCC(F)S3)cn1)C(=O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
CASP1 P29466 1/20 0.41
KDM4E B2RXH2 5/20 0.39
GAA P10253 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
KCNA1 Q09470 1/20 0.36
KCNAB1 Q14722 1/20 0.36
USP2 O75604 1/20 0.33
FBP1 P09467 1/20 0.33
GRM4 Q14833 1/20 0.32
MAPT P10636 2/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL13638639 0.84
SCHEMBL12161602 0.83 KMT2A (0.41) KMT2AALDH1A1HPGDCASP1KDM4E
SCHEMBL9922472 0.82 KMT2A (0.41) KMT2AALDH1A1HPGDCASP1KDM4E
SCHEMBL9922480 0.79 MAPT (0.34) ALDH1A1KDM4EGAASMN1; SMN2MAPT
SCHEMBL9922401 0.79 NLRP3 (0.39) KMT2AALDH1A1HPGDCASP1KDM4E
SCHEMBL13638496 0.78 FBP1 (0.41) KMT2AALDH1A1HPGDCASP1KDM4E
SCHEMBL9922817 0.78 FBP1 (0.41) KMT2AALDH1A1HPGDCASP1GAA
SCHEMBL14228255 0.77
SCHEMBL12177206 0.76
SCHEMBL13633796 0.74 ALDH1A1 (0.32) KMT2AALDH1A1HPGDCASP1KDM4E

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 KMT2A 3023/4885ALDH1A1 1379/4885HPGD 1763/4885

“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.