SCHEMBL7115123

SCHEMBL7115123

C#[N+]CS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 2/20 0.48
RECQL P46063 1/20 0.47
CTSK P43235 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
MAPT P10636 2/20 0.44
TLR9 Q9NR96 1/20 0.43

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
SCHEMBL1910 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL1660614 0.79 ALDH1A1 (0.55) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL2341706 0.76 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL19526143 0.76 ALDH1A1 (0.52) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL86088 0.75 ALDH1A1 (0.67) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL63945 0.75 ALDH1A1 (0.67) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL41372 0.75 ALDH1A1 (0.82) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
Dimethyl Sulfoxide SCHEMBL4647339 0.73 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL10702838 0.73 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A
SCHEMBL13564611 0.73 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C9CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315895-A1 METHODS OF MAKING OLIGOPOTENT AND UNIPOTENT PRECURSORS IMMUNEBRIDGE LLC 2022-10-06 US disclosed
US-11180497-B2 Cyclic compounds as immunomodulating agents ANGEX PHARMACEUTICAL, INC. (US) 2021-11-23 US disclosed
US-20200255371-A1 COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING DERIVATIVES OF FLUORENE IMMUNEBRIDGE LLC 2020-08-13 US disclosed
US-20200239464-A1 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS ANGEX PHARMACEUTICAL, INC. 2020-07-30 US disclosed
WO-2019078968-A2 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS ANGEX PHARMACEUTICAL, INC. (US) 2019-04-25 WO disclosed
EP-2922823-B1 PYRIMIDINE PDE10 INHIBITORS MERCK SHARP & DOHME (US) 2018-10-31 EP disclosed
US-9872911-B2 Alpha-aminoamidine polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-01-23 US disclosed
US-9872911-B2 Alpha-aminoamidine polymers and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2018-01-23 US disclosed
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2017-09-21 US disclosed
US-9663513-B2 Pyrimidine PDE10 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-05-30 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 WO disclosed
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC (US) 2012-06-28 US disclosed
EP-1856043-B1 1-H-PYRROLE-2-CARBOXAMIDES AND IMIDAZOLE-5-CARBOXAMIDES AND USE THEREOF AS FAK, KDR AND TIE2 KINASE MODULATORS FOR THE TREATMENT OF CANCER AVENTIS PHARMA SA (FR) 2011-06-08 EP disclosed
US-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES AMGEN INC. (US) 2010-11-04 US disclosed
US-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2009-08-13 US disclosed
WO-2008154241-A1 5-HETEROARYL SUBSTITUTED INDAZOLES AS KINASE INHIBITORS ABBOTT LABORATORIES (US) 2008-12-18 WO disclosed
US-7273936-B2 Oxazole and thiazole compounds as transforming growth factor (TGF) inhibitors PFIZER INC. (US) 2007-09-25 US disclosed
WO-2007064883-A2 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS BAYER HEALTHCARE LLC. (US) 2007-06-07 WO disclosed
WO-2007064932-A2 PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING CANCER THROUGH INHIBITION OF AURORA KINASE BAYER HEALTHCARE LLC. (US) 2007-06-07 WO disclosed
EP-1200412-B1 IMIDAZOLE ANTIPROLIFERATIVE AGENTS ABBOTT LAB (US) 2003-11-12 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 (8 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-20090203690-A1 5-SUBSTITUTED INDAZOLES AS KINASE INHIBITORS GSK3B, GSK3A, PIM3 ALDH1A1 2761/4885CYP3A4 785/4885CYP2C9 1904/4885
US-20100280073-A1 TRICYCLIC INHIBITORS OF HYDROXYSTEROID DEHYDROGENASES HSD11B1, HSD3B1, HSD17B1 ALDH1A1 185/4885CYP3A4 126/4885CYP2C9 194/4885
US-20200255371-A1 COMPOSITIONS AND METHODS OF MAKING EXPANDED HEMATOPOIETIC STEM CELLS USING DERIVATIVES OF FLUORENE FLI1, MCL1, HCLS1 ALDH1A1 193/4885CYP3A4 3246/4885CYP2C9 2860/4885
US-20120165314-A1 SUBSTITUTED 4-AMINO-PYRROLOTRIAZINE DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS AND DISEASES ASSOCIATED WITH ANGIOGENESIS CDK4, FLT4, CDKL4 ALDH1A1 3137/4885CYP3A4 3200/4885CYP2C9 4800/4885
US-20220315895-A1 METHODS OF MAKING OLIGOPOTENT AND UNIPOTENT PRECURSORS MCL1, CD14, ICOS ALDH1A1 541/4885CYP3A4 4758/4885CYP2C9 4707/4885
US-20170267673-A1 CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE BACE1, BACE2, APP ALDH1A1 1149/4885CYP3A4 507/4885CYP2C9 784/4885
US-20200239464-A1 CYCLIC COMPOUNDS AS IMMUNOMODULATING AGENTS IDO1, IDO2, INMT ALDH1A1 2381/4885CYP3A4 2780/4885CYP2C9 2874/4885
US-11180497-B2 Cyclic compounds as immunomodulating agents IDO1, IDO2, INMT ALDH1A1 2514/4885CYP3A4 2639/4885CYP2C9 2445/4885

“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.