SCHEMBL17987706

SCHEMBL17987706

CC(C)OC(=O)CCSC(C)C

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
TSHR P16473 2/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
EPHX2 P34913 1/20 0.35
HTT P42858 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPK1 P28482 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL5016267 0.82 LMNA (0.52) LMNATSHRMAPTALDH1A1GAA
SCHEMBL283645 0.82 LMNA (0.52) LMNATSHRMAPTALDH1A1GAA
SCHEMBL16744081 0.80 MAPT (0.37) LMNATSHRMAPTALDH1A1
SCHEMBL8104259 0.79 LMNA (0.78) LMNATSHRMAPTALDH1A1GAA
SCHEMBL18619 0.79 LMNA (0.71) LMNATSHRMAPTALDH1A1GAA
SCHEMBL15391 0.79 LMNA (0.78) LMNATSHRMAPTALDH1A1GAA
SCHEMBL28497559 0.78 LMNA (0.48) LMNATSHRMAPTALDH1A1GAA
SCHEMBL72471 0.78 LMNA (0.62) LMNATSHRMAPTALDH1A1GAA
SCHEMBL10174626 0.77 LMNA (0.47) LMNATSHRMAPTALDH1A1HSD17B10
SCHEMBL23348428 0.77 LMNA (0.57) LMNATSHRMAPTALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9695132-B2 Heteroaryl compounds and uses thereof CELGENE CAR LLC (BM) 2017-07-04 US disclosed
US-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2016-08-04 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-20160221966-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 LMNA 2409/4885TSHR 2837/4885MAPT 1888/4885

“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.