SCHEMBL6759772

SCHEMBL6759772

CSC(=NCC(=O)O)SC

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HIF1A Q16665 1/20 0.32
FFAR3 O14843 1/20 0.32

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
SCHEMBL8641652 0.69
SCHEMBL28557426 0.69 CTH (0.38) CYP1A2CYP2D6HSD17B10
SCHEMBL25438034 0.65 CYP1A2 (0.45) CYP1A2CYP2D6HSD17B10HIF1AFFAR3
SCHEMBL5678982 0.65
SCHEMBL17489047 0.63 CYP1A2 (0.39) CYP1A2CYP2D6HSD17B10HIF1AFFAR3
SCHEMBL28928396 0.63 HSD17B10 (0.39) CYP1A2CYP2D6HSD17B10HIF1AFFAR3
SCHEMBL4997664 0.63
SCHEMBL20274640 0.63
SCHEMBL742517 0.61
Guanidino Acetate SCHEMBL7467126 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021081110-A2 PEPTIDES AND USE THEREOF ANEXIGEN, INC. (US) 2021-04-29 WO disclosed
US-9540620-B2 Methods and compositions for modulating G-alpha-Q signaling THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2017-01-10 US disclosed
US-20150218538-A1 Methods and Compositions for Modulating G-Alpha-Q Signaling NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-06 US disclosed
US-6720433-B2 MOTILIN RECEPTOR ANTAGONIST; PHE-N-ME-VAL-(3-(3-METHYLINDOL-5-YL))ALA-NH2;PHE-N-ME-VAL-PHE( 3-ACETYL-4-HYDROXY)-NH2;PHE-N-ME-VAL-(3-(5-TERT-BUTYL-4-SULFAM OYL-2-FURYL))ALA-NH2 CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-13 US disclosed
US-20030176643-A1 Ethylamine derivatives CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-09-18 US disclosed
US-6586630-B1 Carbocyclic carboxy amines, used as motilin receptor antagonists for therapy of gastrointerstinal disorders such as irritable bowel syndrome; hormone inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-01 US disclosed
EP-1116726-A1 ETHYLAMINE DERIVATIVES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-07-18 EP 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-20030176643-A1 Ethylamine derivatives MLNR, GIPR, MC4R CYP1A2 3223/4885CYP2D6 1948/4885HSD17B10 3893/4885

“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.