SCHEMBL20064050

SCHEMBL20064050

CC(C)(O)Cc1csc(N)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.50
GABRB2 P47870 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NOS1 P29475 2/20 0.43
SMN1; SMN2 Q16637 5/20 0.42
RAB9A P51151 5/20 0.42
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
AOC3 Q16853 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL15470626 0.84 HSD17B10 (0.48) GABRA5GABRB2HSD17B10NOS1SMN1; SMN2
SCHEMBL4963518 0.81 GABRA5 (0.47) GABRA5GABRB2HSD17B10NOS1SMN1; SMN2
SCHEMBL18555264 0.76 GABRA5 (0.48) GABRA5GABRB2HSD17B10NOS1SMN1; SMN2
SCHEMBL28883226 0.75 KMT2A (0.38) GABRA5GABRB2HSD17B10SMN1; SMN2RAB9A
SCHEMBL10819642 0.73 GABRA5 (0.64) GABRA5GABRB2HSD17B10NOS1SMN1; SMN2
SCHEMBL91420 0.73
SCHEMBL1235280 0.73
Hydrochloric Acid SCHEMBL307150 0.71
Hydrochloric Acid SCHEMBL16323583 0.71
SCHEMBL2567076 0.70

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
US-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-06 US disclosed
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-08-08 US disclosed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 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 (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-11053234-B2 1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors HPGDS, PTGDR, PTGER1 GABRA5 2270/4885GABRB2 1854/4885HSD17B10 466/4885
US-20190241554-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS HPGDS, PTGDR, PTGER1 GABRA5 2270/4885GABRB2 1854/4885HSD17B10 466/4885

“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.