SCHEMBL1785915

SCHEMBL1785915

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
RAB9A P51151 3/20 0.44
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 2/20 0.38
ALOX5 P09917 1/20 0.38
HTT P42858 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KCNJ6 P48051 1/20 0.38
KCNJ5 P48544 1/20 0.38
KCNJ3 P48549 1/20 0.38
F2 P00734 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 1/20 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
SCHEMBL1785916 0.92 MEN1 (0.44) MEN1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL10565579 0.78 AKT1 (0.49) MEN1KMT2ARAB9ALMNASMN1; SMN2
SCHEMBL21934953 0.78 CYP3A4 (0.41) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL4201545 0.77 AKT1 (0.45) KMT2A
SCHEMBL21934955 0.77 RAB9A (0.43) RAB9ASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL25541945 0.77 RAB9A (0.38) RAB9ASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL1786011 0.75 KCNQ3 (0.40) RAB9ALMNAMAPTHTTALDH1A1
SCHEMBL4206796 0.74 CHRNB2 (0.49) LMNAALDH1A1F2
SCHEMBL31472213 0.71 MT-CO2 (0.38) RAB9AMAPTNPC1
SCHEMBL17101625 0.71 RAB9A (0.48) MEN1KMT2ARAB9AMAPTHTT

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 6 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-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-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
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.