SCHEMBL17007474

SCHEMBL17007474

COc1ccc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1

nearest known ligand 0.97

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.97
CYP2D6 P10635 1/20 0.97
CYP2C19 P33261 1/20 0.97
KDM4E B2RXH2 6/20 0.78
GAA P10253 2/20 0.78
HTT P42858 1/20 0.70
NPC1 O15118 1/20 0.67
PKM P14618 1/20 0.67
PKLR P30613 1/20 0.67
RAB9A P51151 1/20 0.67
MAPT P10636 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
TSHR P16473 1/20 0.64
HPGD P15428 1/20 0.63
CHRM2 P08172 1/20 0.62
CHRM1 P11229 1/20 0.62

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
SCHEMBL23542998 0.90 ALDH1A1 (0.79) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL17007497 0.89 ALDH1A1 (0.78) ALDH1A1CYP2D6CYP2C19KDM4EGAA
Hydrochloric Acid SCHEMBL17007509 0.88 ALDH1A1 (0.76) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL17922962 0.87 ALDH1A1 (0.75) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL17007492 0.87 ALDH1A1 (0.75) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL17007503 0.85 DHCR7 (0.75) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL1044915 0.85 HTT (0.96) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL8508293 0.83 HTT (1.00) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL4555472 0.83 HTT (1.00) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL23178943 0.82 PKM (0.75) ALDH1A1CYP2D6CYP2C19KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11344511-B2 Compounds and methods of promoting myelination CASE WESTERN RESERVE UNIVERSITY (US) 2022-05-31 US disclosed
EP-3890715-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER The Board Of Regents Of The University Of Texas System (US) 2021-10-13 EP disclosed
WO-2020117972-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-06-11 WO disclosed
EP-3044218-B1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS UNIV TEXAS (US) 2020-05-27 EP disclosed
US-10577344-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-03-03 US disclosed
US-10577344-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-03-03 US disclosed
CN-105873913-B Therapeutics targeting truncated Adenomatous Polyposis Coli (APC) proteins 得克萨斯系统大学评议会 2019-12-03 CN disclosed
US-20190269670-A1 COMPOUNDS AND METHODS OF PROMOTING MYELINATION CASE WESTERN RESERVE UNIVERSITY 2019-09-05 US disclosed
US-20190135776-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
US-20190135776-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2019-05-09 US disclosed
WO-2018022904-A2 COMPOUNDS AND METHODS OF PROMOTING MYELINATION CASE WESTERN RESERVE UNIVERSITY (US) 2018-02-01 WO disclosed
US-9856233-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-01-02 US disclosed
US-9856233-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2018-01-02 US disclosed
US-20160313302-A1 TARGETING EMOPAMIL BINDING PROTEIN (EBP) WITH SMALL MOLECULES THAT INDUCE AN ABNORMAL FEEDBACK RESPONSE BY LOWERING ENDOGENOUS CHOLESTEROL BIOSYNTHESIS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-10-27 US disclosed
US-20160313302-A1 TARGETING EMOPAMIL BINDING PROTEIN (EBP) WITH SMALL MOLECULES THAT INDUCE AN ABNORMAL FEEDBACK RESPONSE BY LOWERING ENDOGENOUS CHOLESTEROL BIOSYNTHESIS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2016-10-27 US disclosed
CN-105873913-A Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins 得克萨斯系统大学评议会 2016-08-17 CN disclosed
EP-3044218-A2 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS Board Of Regents Of the University Of Texas System (US) 2016-07-20 EP disclosed
US-20150232444-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-08-20 US disclosed
US-20150232444-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-08-20 US disclosed
US-20150232444-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2015-08-20 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 (6 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-20150232444-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS APC, VHL, TP53 ALDH1A1 4595/4885CYP2D6 4783/4885CYP2C19 4237/4885
US-11344511-B2 Compounds and methods of promoting myelination GMFG, MAG, SGMS1 ALDH1A1 2402/4885CYP2D6 4594/4885CYP2C19 4799/4885
US-20190135776-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS APC, VHL, TP53 ALDH1A1 4595/4885CYP2D6 4783/4885CYP2C19 4237/4885
US-20160313302-A1 TARGETING EMOPAMIL BINDING PROTEIN (EBP) WITH SMALL MOLECULES THAT INDUCE AN ABNORMAL FEEDBACK RESPONSE BY LOWERING ENDOGENOUS CHOLESTEROL BIOSYNTHESIS SREBF1, SREBF2, EBPL ALDH1A1 4063/4885CYP2D6 4199/4885CYP2C19 4602/4885
US-20190269670-A1 COMPOUNDS AND METHODS OF PROMOTING MYELINATION GMFG, MAG, SGMS1 ALDH1A1 2402/4885CYP2D6 4594/4885CYP2C19 4799/4885
US-10577344-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins APC, VHL, TP53 ALDH1A1 4595/4885CYP2D6 4783/4885CYP2C19 4237/4885

“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.