SCHEMBL3750485

SCHEMBL3750485

CCn1c(C(=O)O)cc2sc(C)cc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.64
GFER P55789 1/20 0.64
ALDH1A1 P00352 2/20 0.51
GPR35 Q9HC97 1/20 0.50
TSHR P16473 4/20 0.48
MAPK1 P28482 1/20 0.48
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.45
TP53 P04637 6/20 0.45
MAPT P10636 3/20 0.45
GLA P06280 1/20 0.45
NPSR1 Q6W5P4 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
THRB P10828 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP2 O75604 1/20 0.42

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
SCHEMBL3715694 0.83 MAPT (0.63) HSD17B10ALDH1A1GPR35TSHRMAPK1
SCHEMBL3760791 0.81 ALDH1A1 (0.58) HSD17B10GFERALDH1A1TSHRPOLB
SCHEMBL7682880 0.76 ABCB11 (0.67)
SCHEMBL3756685 0.74 POLB (0.68) HSD17B10ALDH1A1TSHRMAPK1POLB
SCHEMBL21900171 0.72 MAPT (0.64) HSD17B10ALDH1A1TSHRPOLBKDM4E
SCHEMBL16111046 0.69 TSHR (0.67) HSD17B10GFERALDH1A1TSHRMAPK1
SCHEMBL4957913 0.68 GPR35 (0.50) HSD17B10ALDH1A1GPR35TSHRPOLB
SCHEMBL9613337 0.68 GPR35 (0.62) GFERALDH1A1GPR35POLBKDM4E
SCHEMBL8330002 0.67 GPR35 (0.53) HSD17B10ALDH1A1GPR35TSHRMAPK1
SCHEMBL14702784 0.67 GPR35 (1.00) HSD17B10ALDH1A1GPR35POLBKDM4E

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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using EXELIXIS, INC. (US) 2010-12-02 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-20100305093-A1 Inhibitors of mTOR and Methods of Making and Using MTOR, RICTOR, RPTOR HSD17B10 925/4885GFER 3852/4885ALDH1A1 3391/4885

“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.