SCHEMBL17014228

SCHEMBL17014228

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(N2CCOCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KDM4E B2RXH2 2/20 0.59
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
LMNA P02545 2/20 0.53
EPHX2 P34913 3/20 0.53
USP5 P45974 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
HPGD P15428 1/20 0.52
DHCR7 Q9UBM7 1/20 0.50
LIPE Q05469 1/20 0.50
EPHX1 P07099 2/20 0.49
GAA P10253 1/20 0.48

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
SCHEMBL18177501 0.88 ALDH1A1 (0.70) ALDH1A1KDM4ECYP2D6CYP2C19EPHX2
SCHEMBL28485534 0.87 LMNA (0.69) SMN1; SMN2ALDH1A1KDM4ELMNAEPHX2
SCHEMBL22033972 0.85 MEN1 (0.72) SMN1; SMN2ALDH1A1KDM4ECYP2D6CYP2C19
SCHEMBL20456436 0.82 MEN1 (0.55) ALDH1A1KDM4ECYP2D6CYP2C19EPHX2
SCHEMBL2171815 0.82 EPHX2 (0.61) SMN1; SMN2EPHX2KMT2AMEN1LIPE
SCHEMBL31467609 0.80 MEN1 (0.47) SMN1; SMN2ALDH1A1KDM4ECYP2D6CYP2C19
SCHEMBL165947 0.79 ALDH1A1 (0.67) SMN1; SMN2ALDH1A1KDM4ECYP2D6CYP2C19
SCHEMBL1676915 0.79 EPHX2 (0.62) SMN1; SMN2ALDH1A1LMNAEPHX2KMT2A
SCHEMBL19823117 0.79 MEN1 (0.54) ALDH1A1KDM4ECYP2D6CYP2C19LMNA
SCHEMBL17014229 0.79 ALDH1A1 (0.56) ALDH1A1KDM4ECYP2D6CYP2C19LMNA

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 10 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
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-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
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-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
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 SMN1; SMN2 4761/4885ALDH1A1 4595/4885KDM4E 2086/4885
US-11344511-B2 Compounds and methods of promoting myelination GMFG, MAG, SGMS1 SMN1; SMN2 201/4885ALDH1A1 2402/4885KDM4E 2290/4885
US-20190135776-A1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS APC, VHL, TP53 SMN1; SMN2 4761/4885ALDH1A1 4595/4885KDM4E 2086/4885
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 SMN1; SMN2 4880/4885ALDH1A1 4063/4885KDM4E 2393/4885
US-20190269670-A1 COMPOUNDS AND METHODS OF PROMOTING MYELINATION GMFG, MAG, SGMS1 SMN1; SMN2 201/4885ALDH1A1 2402/4885KDM4E 2290/4885
US-10577344-B2 Therapeutics targeting truncated adenomatous polyposis coli (APC) proteins APC, VHL, TP53 SMN1; SMN2 4761/4885ALDH1A1 4595/4885KDM4E 2086/4885

“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.