SCHEMBL3671840

SCHEMBL3671840

CS(=O)(=O)N1CC[C@H](Nc2cc[c]c(C(N)=O)n2)C1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.44
JAK2 O60674 6/20 0.44
JAK1 P23458 3/20 0.42
IRAK1 P51617 1/20 0.39
TDO2 P48775 1/20 0.39
MAPK3 P27361 1/20 0.38
BTK Q06187 1/20 0.38
SYK P43405 1/20 0.38
CDK2 P24941 4/20 0.38
CDK1 P06493 2/20 0.38
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
CCNE1 P24864 1/20 0.38
CCNA2 P20248 1/20 0.38
CCNA1 P78396 1/20 0.38
CYP11B2 P19099 1/20 0.37
SMYD3 Q9H7B4 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
SCHEMBL3666950 0.79 BTK (0.47) JAK3JAK2BTKSYK
SCHEMBL3630593 0.79 JAK2 (0.42) JAK3JAK2JAK1BTK
SCHEMBL2792593 0.79 HCAR3 (0.41) SYK
SCHEMBL3228619 0.77 BTK (0.38) BTK
SCHEMBL3265858 0.77 BTK (0.38) BTK
SCHEMBL2792089 0.76 ABL1 (0.46) SYK
SCHEMBL3635704 0.76 MAPK8 (0.44) JAK1
SCHEMBL3634779 0.76 NOS2 (0.45) SYK
SCHEMBL3637372 0.75 SYK (0.41) JAK1SYKSMYD3
SCHEMBL2793788 0.75 SYK (0.45) SYK

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
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK3 4303/4885JAK2 2606/4885JAK1 4020/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK3 4303/4885JAK2 2606/4885JAK1 4020/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK3 4303/4885JAK2 2606/4885JAK1 4020/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT JAK3 4303/4885JAK2 2606/4885JAK1 4020/4885

“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.