SCHEMBL58523

SCHEMBL58523

C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.37
BTK Q06187 1/20 0.37
ATM Q13315 1/20 0.37
UCHL1 P09936 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL14185942 1.00 HSD17B10 (0.50) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL58198 1.00 HSD17B10 (0.50) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL59402 1.00 HSD17B10 (0.50) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL58503 1.00 HSD17B10 (0.50) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL9234487 1.00 HSD17B10 (0.50) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL14211002 1.00 HSD17B10 (0.50) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL12201950 1.00 HSD17B10 (0.50) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL23525346 0.88 HSD17B10 (0.50) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL5124805 0.88 HSD17B10 (0.50) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3
SCHEMBL20690006 0.88 HSD17B10 (0.50) HSD17B10SMN1; SMN2CHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 US disclosed
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD (JP) 2014-10-16 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-8129407-B2 Hemiasterlin derivatives and uses thereof in the treatment of cancer EISAI INC. (US) 2012-03-06 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER EISAI CO., LTD. (JP) 2010-03-11 US disclosed
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 US disclosed
US-7585976-B2 Hemiasterlin derivatives and uses thereof EISAI CO., LTD. (JP) 2009-09-08 US disclosed
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 US disclosed
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof EISAI CO., LTD. (JP) 2008-05-08 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 (3 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-20100063095-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS HSD17B10 171/4885SMN1; SMN2 4520/4885CHRM2 2072/4885
US-20080108820-A1 Hemiasterlin Derivatives and Uses Thereof DHCR7, HSD17B7, HCCS HSD17B10 129/4885SMN1; SMN2 4604/4885CHRM2 1598/4885
US-20140309174-A1 HEMIASTERLIN DERIVATIVES AND USES THEREOF IN THE TREATMENT OF CANCER DHCR7, HSD17B7, HCCS HSD17B10 171/4885SMN1; SMN2 4520/4885CHRM2 2072/4885

“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.