SCHEMBL560467

SCHEMBL560467

CC[C@@H](C)c1cccc([C@H](C)CC)c1OC(=O)N[C@H](C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.45
CASR P41180 1/20 0.45
POLB P06746 1/20 0.44
PPARA Q07869 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL10033208 1.00 MEN1 (0.51) MEN1KMT2AHSD17B10HTTCASR
SCHEMBL3435521 0.96 MEN1 (0.48) MEN1KMT2ACASR
SCHEMBL249390 0.96 MEN1 (0.48) MEN1KMT2ACASR
SCHEMBL3435870 0.96 MEN1 (0.48) MEN1KMT2ACASR
SCHEMBL6023367 0.80 TSHR (0.44) ALDH1A1
SCHEMBL18272282 0.79 EPHX1 (0.47) HSD17B10NPC1
SCHEMBL28338185 0.79 EPHX1 (0.47) HSD17B10NPC1
SCHEMBL28369492 0.77 MEN1 (0.45) MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL17972913 0.77 MEN1 (0.45) MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL18272207 0.77 ALDH1A1 (0.50) MEN1KMT2AHSD17B10CASRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2810927-A1 Therapeutic compounds Sowood Healthcare LLC (US) 2014-12-10 EP disclosed
US-8871815-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2014-10-28 US disclosed
US-20140206773-A1 Therapeutic Compounds SIGNATURE THERAPEUTICS, INC. (US) 2014-07-24 US disclosed
EP-2301908-B1 (-)-stereoisomer of 2,6-di-sec-butylphenol and analogs thereof for promoting antiemetic effect, treatment of nausea and vomiting and treatment of migraine SIGNATURE THERAPEUTICS INC (US) 2014-06-25 EP disclosed
US-8575400-B2 Therapeutic compounds SIGNATURE THERAPEUTICS, INC. (US) 2013-11-05 US disclosed
US-20130059919-A1 Therapeutic Compounds SOWOOD HEALTHCARE LLC 2013-03-07 US disclosed
US-8242315-B2 Stereoisomers propofol therapeutic compounds Singature Therapeutics, Inc. (US) 2012-08-14 US disclosed
US-20120035271-A1 Stereoisomers Propofol Therapeutic Compounds SOWOOD HEALTHCARE LLC 2012-02-09 US disclosed
US-8071818-B2 Therapeutic compounds PHARMACOFORE, INC. (US) 2011-12-06 US disclosed
EP-2301908-A1 (-)-stereoisomer of 2,6-di-sec-butylphenol and analogs thereof for promoting antiemetic effect and treatment of nausea and vomiting Pharmacofore, Inc. (US) 2011-03-30 EP disclosed
EP-2292577-A1 (+)-stereoisomer of 2,6-di-sec-butylphenol and analogs thereof Pharmacofore, Inc. (US) 2011-03-09 EP disclosed
US-20100292346-A1 Stereoisomers Propofol Therapeutic Compounds SOWOOD HEALTHCARE LLC 2010-11-18 US disclosed
EP-2146946-B1 (-)- stereoisomer of 2,6-di-sec-butylphenol and analogs thereof PHARMACOFORE INC (US) 2010-11-10 EP disclosed
EP-2146946-A2 STEREOISOMERIC PROPOFOL THERAPEUTIC COMPOUNDS Pharmacofore, Inc. (US) 2010-01-27 EP disclosed
WO-2008141097-A2 STEREOISOMERS PROPOFOL THERAPEUTIC COMPOUNDS PHARMACOFORE, INC. (US) 2008-11-20 WO 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 (4 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-20130059919-A1 Therapeutic Compounds SCN1B, ABCB11, SLC10A1 MEN1 1249/4885KMT2A 3757/4885HSD17B10 609/4885
US-20100292346-A1 Stereoisomers Propofol Therapeutic Compounds GABRP, OPRM1, OPRD1 MEN1 3223/4885KMT2A 3068/4885HSD17B10 670/4885
US-20140206773-A1 Therapeutic Compounds OPRM1, OGFR, OPRD1 MEN1 2062/4885KMT2A 3053/4885HSD17B10 813/4885
US-20120035271-A1 Stereoisomers Propofol Therapeutic Compounds GABRP, OPRM1, OPRD1 MEN1 3223/4885KMT2A 3068/4885HSD17B10 670/4885

“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.