SCHEMBL5456616

SCHEMBL5456616

CC(C)NC(=S)Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.72
HPGD P15428 2/20 0.72
ALOX12 P18054 1/20 0.72
HTT P42858 1/20 0.72
TAS2R38 P59533 2/20 0.64
CYP3A4 P08684 1/20 0.64
HSD17B10 Q99714 1/20 0.64
GAA P10253 6/20 0.64
LMNA P02545 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
NOX1 Q9Y5S8 1/20 0.59
EPHX2 P34913 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CNR1 P21554 2/20 0.54
MAOA P21397 1/20 0.53
MAOB P27338 1/20 0.53

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
SCHEMBL11365348 0.90 GAA (0.70) ALDH1A1HPGDALOX12HTTTAS2R38
SCHEMBL24416458 0.89 ALDH1A1 (0.68) ALDH1A1HPGDALOX12HTTGAA
SCHEMBL6833853 0.86 GAA (0.62) ALDH1A1HPGDALOX12HTTTAS2R38
SCHEMBL22957976 0.85 GAA (0.71) ALDH1A1HPGDALOX12HTTTAS2R38
SCHEMBL24064909 0.85 GAA (0.71) ALDH1A1HPGDALOX12HTTTAS2R38
SCHEMBL13754414 0.84 GAA (0.65) ALDH1A1HPGDALOX12HTTTAS2R38
SCHEMBL5455317 0.82 HSD17B10 (0.64) ALDH1A1HPGDALOX12HTTTAS2R38
SCHEMBL10267756 0.82 SMN1; SMN2 (0.61) ALDH1A1HPGDALOX12HTTCYP3A4
SCHEMBL11283059 0.81 STAT3 (0.61) ALDH1A1HPGDALOX12HTTTAS2R38
SCHEMBL7748287 0.81 GAA (0.61) ALDH1A1HPGDALOX12HTTTAS2R38

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11339122-B2 hTRPV1 chemical agents University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2022-05-24 US disclosed
US-20210171454-A1 hTRPV1 CHEMICAL AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2021-06-10 US disclosed
US-10253256-B2 Use of sulfur and selenium compounds as precursors to nanostructured materials THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-04-09 US disclosed
US-20180215705-A1 hTRPV1 CHEMICAL AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-08-02 US disclosed
US-20180215705-A1 hTRPV1 CHEMICAL AGENTS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2018-08-02 US disclosed
CN-106103348-B The purposes of sulphur compound and selenium compound as the precursor of nano structural material 哥伦比亚大学(纽约)理事会 2018-07-31 CN disclosed
CN-106103348-A Sulphur compound and selenium compound are as the purposes of the precursor of nano structural material 哥伦比亚大学(纽约)理事会 2016-11-09 CN disclosed
US-20160237345-A1 USE OF SULFUR AND SELENIUM COMPOUNDS AS PRECURSORS TO NANOSTRUCTURED MATERIALS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-08-18 US disclosed
EP-3049370-A1 USE OF SULFUR AND SELENIUM COMPOUNDS AS PRECURSORS TO NANOSTRUCTURED MATERIALS The Trustees of Columbia University in the City of New York (US) 2016-08-03 EP disclosed
CN-101129295-B There is the binary initiator system of good storage stability and especially suitable for acidic system HERAEUS KULZER GMBH (DE) 2016-02-10 CN disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
CN-101129295-A 2-component initiator system (amine free) with storage stability and especially suitable for acidic systems HERAEUS KULZER GMBH (DE) 2008-02-27 CN disclosed
US-20070040151-A1 Two-component initiator system (amine-free) with very good storage stability and particular suitability for acid systems HERAEUS KULZER GMBH (DE) 2007-02-22 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 (4 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-10253256-B2 Use of sulfur and selenium compounds as precursors to nanostructured materials SCLY, TST, SOD1 ALDH1A1 1898/4885HPGD 1265/4885ALOX12 2405/4885
US-20180215705-A1 hTRPV1 CHEMICAL AGENTS TRPV1, TRPA1, TRPV4 ALDH1A1 1826/4885HPGD 644/4885ALOX12 694/4885
US-20210171454-A1 hTRPV1 CHEMICAL AGENTS TRPV1, TRPA1, TRPV4 ALDH1A1 1806/4885HPGD 632/4885ALOX12 590/4885
US-11339122-B2 hTRPV1 chemical agents TRPV1, TRPA1, TRPV4 ALDH1A1 1826/4885HPGD 644/4885ALOX12 694/4885

“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.