SCHEMBL12308271

SCHEMBL12308271

CCOC(=O)C(CS)NC(=O)c1ccc(-c2ccc(C(=O)NC(CS)C(=O)OCC)cn2)nc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.45
HPGDS O60760 8/20 0.44
CYP26A1 O43174 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BAZ2B Q9UIF8 1/20 0.42
GABRA5 P31644 1/20 0.41
GAA P10253 1/20 0.39
RAB9A P51151 1/20 0.39
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
DHFR P00374 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL12308274 0.89 TAS1R3 (0.44) P4HTMHPGDSCYP26A1L3MBTL1BAZ2B
SCHEMBL12308201 0.86 CYP26A1 (0.49) CYP26A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12308256 0.82 CYP26A1 (0.55) HPGDSCYP26A1L3MBTL1GAARAB9A
SCHEMBL14136063 0.82 HPGDS (0.38) P4HTMHPGDSCYP26A1KDM4EALDH1A1
SCHEMBL12308120 0.81 JMJD6 (0.46) CYP26A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL29809632 0.81 ECE1 (0.54) CYP26A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12308244 0.80 TAS1R3 (0.43) CYP26A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12574370 0.78 TAS1R3 (0.47) CYP26A1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL12308250 0.77 CA1 (0.55) CYP26A1GAACA1CA2CA12
SCHEMBL12334493 0.77 CA2 (0.54) HPGDSCYP26A1KDM4EL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128571-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2014-05-08 US disclosed
US-20130165630-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2013-06-27 US disclosed
US-20120302780-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-11-29 US disclosed
US-20120302780-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-11-29 US disclosed
US-20110237776-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2011-09-29 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-20120302780-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS CBS, ARSA, SOD1 P4HTM 1302/4885HPGDS 935/4885CYP26A1 2288/4885
US-20140128571-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 P4HTM 1591/4885HPGDS 1129/4885CYP26A1 2219/4885
US-20110237776-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 P4HTM 1591/4885HPGDS 1129/4885CYP26A1 2219/4885
US-20130165630-A1 AROMATIC COMPOUNDS WITH SULFUR CONTAINING LIGANDS SOD1, CBS, ABCB7 P4HTM 1591/4885HPGDS 1129/4885CYP26A1 2219/4885

“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.