SCHEMBL9542444

SCHEMBL9542444

O=C1CSc2ncccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
TDP2 O95551 1/20 0.42
NSD2 O96028 1/20 0.42
ABL1 P00519 1/20 0.42
PLCG1 P19174 1/20 0.42
CES1 P23141 1/20 0.42
PAX8 Q06710 1/20 0.42
RIN1 Q13671 1/20 0.42
MEN1 O00255 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDR P35968 3/20 0.41
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40

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
SCHEMBL566902 0.81 TDP2 (0.39) GAATDP2NSD2ABL1PLCG1
SCHEMBL13315840 0.74 TDP2 (0.41) GAATDP2NSD2ABL1PLCG1
SCHEMBL16138603 0.74 KDR (0.39) GAATDP2NSD2ABL1PLCG1
SCHEMBL565961 0.74 CA12 (0.40) GAATDP2NSD2ABL1PLCG1
SCHEMBL567008 0.74 CA12 (0.40) GAATDP2NSD2ABL1PLCG1
SCHEMBL565962 0.74 CA12 (0.40) GAATDP2NSD2ABL1PLCG1
SCHEMBL22691663 0.73 ALDH1A1 (0.44) GAATDP2NSD2ABL1PLCG1
SCHEMBL16138606 0.72 CA12 (0.39) GAATDP2NSD2ABL1PLCG1
SCHEMBL3632821 0.71 S100A4 (0.37) GAATDP2NSD2ABL1PLCG1
SCHEMBL26687028 0.71 ALDH1A1 (0.42) GAATDP2NSD2ABL1PLCG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947206-B2 cGAS antagonist compounds IMMUNESENSOR THERAPEUTICS, INC. (US) 2021-03-16 US disclosed
US-20180092908-A1 SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2018-04-05 US disclosed
US-20170136030-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY WASHINGTON UNIVERSITY (US) 2017-05-18 US disclosed
US-8957219-B2 Acetic acid amide derivative having inhibitory activity on endothelial lipase SHIONOGI & CO., LTD. (JP) 2015-02-17 US disclosed
US-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2014-09-25 US disclosed
US-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE SHIONOGI & CO., LTD. (JP) 2011-10-13 US disclosed
WO-1993013664-A2 BIHETEROCYCLIC FUNGICIDAL COMPOUNDS SCHERING AGROCHEMICALS LIMITED (GB) 1993-07-22 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 (5 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-10947206-B2 cGAS antagonist compounds CGAS, STING1, GLS2 GAA 51/4885TDP2 88/4885NSD2 4435/4885
US-20110251386-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, LIPA GAA 765/4885TDP2 2269/4885NSD2 2106/4885
US-20140288302-A1 ACETIC ACID AMIDE DERIVATIVE HAVING INHIBITORY ACTIVITY ON ENDOTHELIAL LIPASE LIPG, CEL, FFAR3 GAA 1078/4885TDP2 2316/4885NSD2 2512/4885
US-20170136030-A1 TREATMENT OF MALARIA USING INHIBITORS OF THE ISPD ENZYME IN THE NON-MEVALONATE PATHWAY IMPDH1, IMPDH2, SHMT2 GAA 816/4885TDP2 2061/4885NSD2 1305/4885
US-20180092908-A1 SMALL MOLECULE OXIDIZERS OF PDI AND THEIR USE PDIA5, PDIA4, PDIA6 GAA 350/4885TDP2 691/4885NSD2 3589/4885

“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.