SCHEMBL5010967

SCHEMBL5010967

COc1cccc(N2C(=O)c3ccc(C(=O)O)cc3C2=O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.77
LPAR1 Q92633 1/20 0.63
LPAR5 Q9H1C0 1/20 0.63
LPAR3 Q9UBY5 1/20 0.63
NPSR1 Q6W5P4 1/20 0.61
S100B P04271 1/20 0.61
CA1 P00915 4/20 0.60
CA9 Q16790 4/20 0.60
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
POLB P06746 4/20 0.58
MAPK1 P28482 1/20 0.58
CA2 P00918 2/20 0.57
CA12 O43570 2/20 0.57
ALDH1A1 P00352 2/20 0.57
MAPT P10636 1/20 0.57
RECQL P46063 1/20 0.57
CA4 P22748 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
GFER P55789 1/20 0.55

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
SCHEMBL17951023 0.90 HSD17B10 (0.63) HSD17B10LPAR1LPAR5LPAR3S100B
SCHEMBL9458368 0.89 HSD17B10 (0.76) HSD17B10LPAR1LPAR5LPAR3NPSR1
SCHEMBL9564308 0.87 HSD17B10 (0.72) HSD17B10LPAR1LPAR5LPAR3NPSR1
SCHEMBL7570223 0.87 HSD17B10 (1.00) HSD17B10LPAR1LPAR5LPAR3NPSR1
SCHEMBL1306542 0.86 CA1 (0.64) HSD17B10S100BCA1CA9MEN1
SCHEMBL5010660 0.86 ALDH1A1 (0.70) HSD17B10NPSR1CA1CA9MEN1
SCHEMBL4230581 0.86 S100B (0.74) HSD17B10LPAR1LPAR5LPAR3NPSR1
SCHEMBL9803534 0.84 LPAR1 (0.77) HSD17B10LPAR1LPAR5LPAR3NPSR1
SCHEMBL16127953 0.83 CA9 (0.69) NPSR1CA1CA9MEN1KMT2A
SCHEMBL5012367 0.83 NPSR1 (0.68) HSD17B10LPAR1LPAR5LPAR3NPSR1

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-7319098-B2 1,3-dioxoisoindole derivatives having selective antagonism of T-type calcium channel KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2008-01-15 US disclosed
US-20070259867-A1 1,3-DIOXOISOINDOLE DERIVATIVES HAVING SELECTIVE ANTAGONISM OF T-TYPE CALCIUM CHANNEL KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY 2007-11-08 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-20070259867-A1 1,3-DIOXOISOINDOLE DERIVATIVES HAVING SELECTIVE ANTAGONISM OF T-TYPE CALCIUM CHANNEL CACNA1I, CACNA1G, CACNA1H HSD17B10 3189/4885LPAR1 1416/4885LPAR5 1882/4885

“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.