SCHEMBL1785916

SCHEMBL1785916

CN(C)S(=O)(=O)c1cccc(N(NC(=O)OC(C)(C)C)C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 5/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 4/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1785915 0.92 MEN1 (0.44) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL1786013 0.75 KCNQ3 (0.41) RAB9ANPC1
SCHEMBL21934953 0.71 CYP3A4 (0.41) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL10565579 0.70 AKT1 (0.49) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL24196426 0.70 L3MBTL1 (0.52) MEN1KMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL1785438 0.70 LMNA (0.44) LMNATP53KDM4E
SCHEMBL28705821 0.70 AKT1 (0.55) MEN1KMT2ARAB9AMAPTHTT
SCHEMBL31689565 0.68 ALDH1A1 (0.63) MEN1KMT2ARAB9AALDH1A1NPC1
SCHEMBL1786011 0.68 KCNQ3 (0.40) RAB9ALMNAMAPTHTTALDH1A1
SCHEMBL4201545 0.68 AKT1 (0.45) KMT2A

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-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 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 (2 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R MEN1 938/4885KMT2A 2863/4885RAB9A 2207/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R MEN1 938/4885KMT2A 2863/4885RAB9A 2207/4885

“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.