SCHEMBL18177501

SCHEMBL18177501

O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCC(N2CCCCC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
CYP2D6 P10635 1/20 0.70
CYP2C19 P33261 1/20 0.70
KDM4E B2RXH2 6/20 0.64
GAA P10253 3/20 0.63
EPHX2 P34913 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MBTD1 Q05BQ5 1/20 0.55
L3MBTL3 Q96JM7 1/20 0.55
NPC1 O15118 1/20 0.55
DHCR7 Q9UBM7 1/20 0.52
LIPE Q05469 1/20 0.52
HPGD P15428 1/20 0.51

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
SCHEMBL17014228 0.88 SMN1; SMN2 (0.59) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL22033972 0.88 MEN1 (0.72) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL20456429 0.86 USP2 (0.65) ALDH1A1KDM4EGAAEPHX2L3MBTL1
SCHEMBL17014229 0.86 ALDH1A1 (0.56) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL19823117 0.86 MEN1 (0.54) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL29460579 0.85 MEN1 (0.62) ALDH1A1KDM4EGAAEPHX2L3MBTL1
SCHEMBL20456436 0.84 MEN1 (0.55) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL2171815 0.84 EPHX2 (0.61) EPHX2MEN1KMT2ANPC1LIPE
SCHEMBL22080777 0.82 ALDH1A1 (0.70) ALDH1A1CYP2D6CYP2C19KDM4EGAA
SCHEMBL1676915 0.81 EPHX2 (0.62) ALDH1A1EPHX2MEN1KMT2ALIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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

“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.