SCHEMBL5198232

SCHEMBL5198232

CC1(C)OB(c2ccc(NS(=O)(=O)C3CC3)cc2)OC1(C)C

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.64
CA2 P00918 12/20 0.64
CA9 Q16790 12/20 0.64
CA12 O43570 1/20 0.64
CA3 P07451 1/20 0.64
CA4 P22748 1/20 0.64
CA6 P23280 1/20 0.64
CA5A P35218 1/20 0.64
CA7 P43166 1/20 0.64
CA14 Q9ULX7 1/20 0.64
CA5B Q9Y2D0 1/20 0.64
LPL P06858 4/20 0.41
LIPG Q9Y5X9 4/20 0.41
BRD4 O60885 1/20 0.40
BRPF1 P55201 1/20 0.39
HDAC4 P56524 1/20 0.39
HRH3 Q9Y5N1 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
SCHEMBL551717 0.94 CA1 (0.61) CA1CA2CA9CA12CA3
SCHEMBL1075440 0.83 OPRM1 (0.46) CA1CA2CA9CA12CA3
SCHEMBL18197397 0.81 CA1 (0.42) CA1CA2CA9CA12CA3
SCHEMBL190423 0.80 CA1 (0.73) CA1CA2CA9CA12CA3
SCHEMBL18113003 0.79 BRD4 (0.41) CA1CA2CA9CA12CA3
SCHEMBL19521293 0.79 EPHX2 (0.42) CA1CA2CA9CA12CA3
SCHEMBL18112985 0.78 CYP17A1 (0.48) CA1CA2CA9CA12CA3
SCHEMBL21630348 0.78 CA1 (0.39) CA1CA2CA9CA12CA3
SCHEMBL24133598 0.77 CA1 (0.69) CA1CA2CA9CA12CA3
SCHEMBL3110517 0.77 CA1 (0.49) CA1CA2CA9CA12CA3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892534-B1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC (US) 2021-08-04 EP disclosed
CN-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed
US-10227357-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-03-12 US disclosed
US-10227357-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2019-03-12 US disclosed
EP-2892534-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR Plexxikon, Inc. (US) 2015-07-15 EP disclosed
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US disclosed
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US disclosed
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2014-05-08 US disclosed
WO-2014039714-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-03-13 WO disclosed
WO-2014039714-A2 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2014-03-13 WO disclosed
US-20070275968-A1 Substituted Biphenyl Derivative SANKYO COMPANY, LIMITED (JP) 2007-11-29 US disclosed
EP-1798229-A1 SUBSTITUTED BIPHENYL DERIVATIVE Sankyo Company, Limited (JP) 2007-06-20 EP 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 (3 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-10227357-B2 Compounds and methods for kinase modulation, and indications therefor KIT, PRKCH, PRKACA CA1 4018/4885CA2 2364/4885CA9 2389/4885
US-20070275968-A1 Substituted Biphenyl Derivative COL2A1, COL1A1, FGFR3 CA1 1466/4885CA2 236/4885CA9 1446/4885
US-20140128390-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR KIT, PRKCH, PRKACA CA1 4018/4885CA2 2364/4885CA9 2389/4885

“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.