SCHEMBL17308656

SCHEMBL17308656

CC(=O)Sc1nc[nH]c1C[C@@H](C(=O)O)[N+](C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ALPL P05186 1/20 0.31
POLB P06746 1/20 0.31
ALPG P10696 1/20 0.31

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
SCHEMBL19996539 0.88 POLB (0.42) ALPLPOLBALPG
SCHEMBL17308681 0.87 CYP2C19 (0.34) CYP2C19HSD17B10ALPLPOLBALPG
SCHEMBL17308677 0.84 POLB (0.36) ALPLPOLBALPG
SCHEMBL17308684 0.81 SLC7A5 (0.43) HSD17B10POLB
SCHEMBL17293237 0.81 SLC7A5 (0.43) HSD17B10POLB
SCHEMBL17308624 0.81 SLC7A5 (0.43) HSD17B10POLB
SCHEMBL17308675 0.78 SMN1; SMN2 (0.34) CYP2C19HSD17B10
SCHEMBL17308674 0.78 CYP2C19 (0.32) CYP2C19HSD17B10
SCHEMBL19085618 0.78 CYP1A2 (0.33) CYP2C19HSD17B10
SCHEMBL19077817 0.77 TNF (0.37) CYP2C19HSD17B10

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-9926300-B2 5-acylsulfanyl-histidine compounds as precursors of the corresponding 5-sulfanylhistidines and their disulfides TETRAHEDRON (FR) 2018-03-27 US disclosed
US-20170190691-A1 NOVEL 5-ACYLSULFANYL-HISTIDINE COMPOUNDS AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THEIR DISULFIDES TETRAHEDRON (FR) 2017-07-06 US disclosed
WO-2015181507-A1 NOVEL COMPOUNDS OF THE 5-ACYLSULFANYL-HISTIDINE TYPE AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THE DISULFIDES THEREOF TETRAHEDRON (FR) 2015-12-03 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 (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-20170190691-A1 NOVEL 5-ACYLSULFANYL-HISTIDINE COMPOUNDS AS PRECURSORS OF THE CORRESPONDING 5-SULFANYLHISTIDINES AND THEIR DISULFIDES AHCYL1, CBS, H1-5 CYP2C19 2240/4885HSD17B10 465/4885ALPL 3599/4885

“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.