SCHEMBL11083124

SCHEMBL11083124

COC(=O)c1ccccc1SCC#N

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.63
POLB P06746 2/20 0.63
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 3/20 0.50
ATM Q13315 1/20 0.47
CRBN Q96SW2 1/20 0.47
TSHR P16473 2/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
CFTR P13569 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
PKLR P30613 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL22057794 0.82 HSD17B10 (0.60) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL7364591 0.80 HSD17B10 (0.71) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL15143214 0.78 HSD17B10 (0.67) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL10144072 0.78 HSD17B10 (0.67) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL9660330 0.78 HSD17B10 (0.77) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL9661237 0.78 HSD17B10 (1.00) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL4131695 0.77 L3MBTL1 (0.64) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL9661198 0.76 HSD17B10 (0.74) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL21505100 0.76 HSD17B10 (0.65) HSD17B10POLBALDH1A1KDM4EKMT2A
SCHEMBL2797516 0.76 HSD17B10 (0.65) HSD17B10POLBALDH1A1KDM4EKMT2A

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-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death DANA-FARBER CANCER INSTITUTE, INC. 2020-06-04 US disclosed
US-4431657-A Analgesic compositions consisting of 2H-benzothieno[3,2-c]pyrazol-3-amine derivatives AYERST, MCKENNA & HARRISON INC. (CA) 1984-02-14 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-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death BAX, BAD, TMBIM6 HSD17B10 3904/4885POLB 2275/4885ALDH1A1 4275/4885

“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.