SCHEMBL17014229

SCHEMBL17014229

CC1CCCN(C2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)CC2)C1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CYP2D6 P10635 2/20 0.56
CYP2C19 P33261 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
LMNA P02545 1/20 0.52
DHCR7 Q9UBM7 1/20 0.52
EPHX2 P34913 3/20 0.52
KDM4E B2RXH2 4/20 0.50
SCN9A Q15858 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EPHX1 P07099 1/20 0.48
GAA P10253 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
LIPE Q05469 1/20 0.47

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
SCHEMBL20993771 0.87 MBTD1 (0.49) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL19823117 0.87 MEN1 (0.54) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL22033972 0.86 MEN1 (0.72) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL17922962 0.86 ALDH1A1 (0.75) ALDH1A1CYP2D6CYP2C19LMNADHCR7
SCHEMBL17007492 0.86 ALDH1A1 (0.75) ALDH1A1CYP2D6CYP2C19LMNADHCR7
SCHEMBL18177501 0.86 ALDH1A1 (0.70) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL17014211 0.85 MEN1 (0.74) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL17014213 0.84 DHCR7 (0.60) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL17014224 0.83 KDM4E (0.69) ALDH1A1CYP2D6CYP2C19MEN1KMT2A
SCHEMBL26000538 0.83 DHCR7 (0.62) ALDH1A1CYP2D6CYP2C19MEN1KMT2A

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
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-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-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 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.