SCHEMBL806010

SCHEMBL806010

CCCCN1CCS(=O)(=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.41
GNAO1 P09471 3/20 0.41
GNAI1 P63096 3/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
S1PR1 P21453 2/20 0.40
S1PR3 Q99500 2/20 0.40
S1PR5 Q9H228 2/20 0.40
USP2 O75604 1/20 0.38
GLB1 P16278 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CNR2 P34972 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 1/20 0.36
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL12550619 0.93 GNAO1 (0.48) GNAI3GNAO1GNAI1MEN1KMT2A
SCHEMBL12550613 0.91 GNAO1 (0.52) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL12550616 0.91 GNAO1 (0.52) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL12550640 0.91 GNAO1 (0.52) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL12550641 0.91 GNAO1 (0.52) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL12550618 0.91 GNAO1 (0.52) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL12550615 0.91 GNAO1 (0.52) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL12550617 0.91 GNAO1 (0.52) GNAI3GNAO1GNAI1S1PR1S1PR3
SCHEMBL178300 0.88 KMT2A (0.44) MEN1KMT2ANPC1ALDH1A1CNR2
SCHEMBL21555755 0.85 GNAI3 (0.46) GNAI3GNAO1GNAI1S1PR1S1PR3

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 64 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250102-A1 DNA Polymerase IIIC Inhibitors and Use Thereof Acurx Pharmaceuticals, Inc. 2023-08-10 US disclosed
US-20220388980-A1 QUINOLINE INHIBITORS OF RAD52 AND METHODS OF USE UNIV DREXEL (US) 2022-12-08 US disclosed
WO-2022140169-A1 PREPARATION OF TETRAHYDROINDAZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-06-30 WO disclosed
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF Université de Montréal (CA) 2021-12-16 US disclosed
US-10808199-B2 Seal swell agents for lubricating compositions THE LUBRIZOL CORPORATION 2020-10-20 US disclosed
US-20190203143-A1 SEAL SWELL AGENTS FOR LUBRICATING COMPOSITIONS THE LUBRIZOL CORPORATION 2019-07-04 US disclosed
US-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA, INC. 2017-09-07 US disclosed
US-9693989-B2 N4-phenyl-quinazoline-4-amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA, INC. (US) 2017-07-04 US disclosed
US-9629831-B2 Benzamides and related inhibitors of factor XA MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-04-25 US disclosed
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA COR THERAPEUTICS, INC. 2016-11-03 US disclosed
EP-2050744-A1 Quinazoline derivatives as angiogenesis inhibitors AstraZeneca AB (SE) 2009-04-22 EP disclosed
US-7521450-B2 Inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-21 US disclosed
US-7514570-B2 Derivatives of 3-hydroxy-4-(cyclyl-alkylaminoalkyl)-5-phenyl-1h-pyrazole as antagonists of the gonadotropin releasing hormone (GnRH) for use in the treatment of sex hormone related conditions, such as prostatic of uterine cancer ASTRAZENECA AB (SE) 2009-04-07 US disclosed
US-20090005344-A1 Compounds and Methods of Use Thereof NKUADA, LLC (US) 2009-01-01 US disclosed
US-20080319044-A1 Compounds and Methods of Use Thereof NUADA, LLC (US) 2008-12-25 US disclosed
US-20080187978-A1 Anti-inflammatory medicaments FLYNN DANIEL L 2008-08-07 US disclosed
US-20070299075-A1 e.g. 1-[4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-4-(aminosulfonyl)aminobutan-2-ol; inhibit the tyrosine kinase activity of endothelial and fibroblast growth factors receptors; angiogenesis inhibitor; anticarcinogenic agent BRISTOL-MYERS SQUIBB COMPANY 2007-12-27 US disclosed
US-7265113-B2 Inhibitors of kinases BRISTOL-MYERS SQUIBB COMPANY (US) 2007-09-04 US disclosed
WO-2007059257-A2 N4-PHENYL-QUINAZ0LINE-4 -AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2007-05-24 WO disclosed
US-20070078121-A1 Enzyme modulators and treatments DECIPHERA PHARMACEUTICALS, LLC 2007-04-05 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 (9 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-20090005344-A1 Compounds and Methods of Use Thereof TNF, IL1B, TNFRSF1A GNAI3 1360/4885GNAO1 1983/4885GNAI1 923/4885
US-20160317511-A1 BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA TFPI, F12, TFPI2 GNAI3 2228/4885GNAO1 1363/4885GNAI1 1803/4885
US-20220388980-A1 QUINOLINE INHIBITORS OF RAD52 AND METHODS OF USE RAD52, RECQL, RAD50 GNAI3 1409/4885GNAO1 2483/4885GNAI1 903/4885
US-20070299075-A1 e.g. 1-[4-(4-Fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-pyrrolo[2,1-f][1,2,4]triazin-6-yloxy]-4-(aminosulfonyl)aminobutan-2-ol; inhibit the tyrosine kinase activity of endothelial and fibroblast growth factors receptors; angiogenesis inhibitor; anticarcinogenic agent FGFR1, FLT1, FGFR2 GNAI3 1478/4885GNAO1 1320/4885GNAI1 611/4885
US-20170252317-A1 N4-PHENYL-QUINAZOLINE-4-AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ERBB4, ERBB2, ERBB3 GNAI3 566/4885GNAO1 967/4885GNAI1 383/4885
US-20230250102-A1 DNA Polymerase IIIC Inhibitors and Use Thereof POLI, POLN, POLB GNAI3 737/4885GNAO1 3073/4885GNAI1 930/4885
US-20080319044-A1 Compounds and Methods of Use Thereof TNF, LITAF, LTA GNAI3 1588/4885GNAO1 1843/4885GNAI1 1153/4885
US-20210387980-A1 HETEROCYCLIC MITOCHONDRIAL ACTIVITY INHIBITORS AND USES THEREOF IDH2, TFAM, NUTF2 GNAI3 2788/4885GNAO1 2793/4885GNAI1 2415/4885
US-20070078121-A1 Enzyme modulators and treatments ABL1, ABL2, LCK GNAI3 1869/4885GNAO1 3033/4885GNAI1 1694/4885

“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.