SCHEMBL798536

SCHEMBL798536

CC(C)c1cc2sc(C(C)C)nc2cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.38
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
SCN4A P35499 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
LIPG Q9Y5X9 3/20 0.31
CASR P41180 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL14027772 0.86 LOXL2 (0.33) ACACBNPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL14046218 0.82 SMN1; SMN2 (0.52) NPC1RAB9ASMN1; SMN2SCN4AALDH1A1
SCHEMBL14046224 0.82 ACACB (0.38) ACACBNPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL2707208 0.78 NPC1 (0.45) ACACBNPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL23775746 0.78 ACACB (0.39) ACACBNPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL21981998 0.78 ACACB (0.36) ACACBNPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL19803743 0.78 CASR (0.32) NPC1RAB9ASMN1; SMN2SCN4ACASR
SCHEMBL31321369 0.73 MAPT (0.51) NPC1RAB9ASMN1; SMN2SCN4ATP53
SCHEMBL15935289 0.73 LOXL2 (0.40) ACACBNPC1RAB9ASMN1; SMN2SCN4A
SCHEMBL24476894 0.72 S1PR1 (0.43) ACACBRAB9ASMN1; SMN2LOXL2CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021160132-A1 HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海美悦生物科技发展有限公司 2021-08-19 WO disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors SIRTRIS PHARMACEUTICALS, INC. (US) 2008-10-09 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 (2 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-20080249130-A1 Gut microsomal triglyceride transport protein inhibitors MTTP, CETP, FABP2 ACACB 203/4885NPC1 37/4885RAB9A 2515/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 ACACB 2037/4885NPC1 1283/4885RAB9A 1096/4885

“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.