SCHEMBL1962586

SCHEMBL1962586

CC(=S)OC(C)c1c(C)cc(C)cc1C

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL28758397 0.80 TSHR (0.39) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C19
SCHEMBL28599082 0.73 RAPGEF4 (0.36) SLC6A2SLC6A4SLC6A3CYP3A4CYP2C19
SCHEMBL20102176 0.71 TSHR (0.35)
SCHEMBL13406762 0.67 L3MBTL1 (0.35) SLC6A2SLC6A4SLC6A3
SCHEMBL11035532 0.66 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL3530399 0.66 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3
Hydrogen Peroxide SCHEMBL10882706 0.66 LDHA (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL5163137 0.65 RAPGEF4 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL27927634 0.65 RAPGEF4 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL9686493 0.63 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346755-B2 Kinetic resolution THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN TRINITY COLLEGE, UNIVERSITY OF DUBLIN (IE) 2016-05-24 US disclosed
EP-2509933-B1 KINETIC RESOLUTION PROVOST FELLOWS & SCHOLARS COLLEGE OF THE HOLY UNDIVIDED TRINITY OF QUEEN ELIZABETH NEAR DUBLIN (IE) 2016-04-20 EP disclosed
US-20150073170-A1 KINETIC RESOLUTION The Provost, Fellows, Foundation Scholars, and the Other Members of the Board, of the College of the (IE) 2015-03-12 US disclosed
US-8946429-B2 Kinetic resolution THE PROVOST, FELLOWS, FOUNDATION SCHOLARS, AND THE OTHER MEMBERS OF THE BOARD, OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2015-02-03 US disclosed
US-20120277437-A1 KINETIC RESOLUTION THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY (IE) 2012-11-01 US disclosed
EP-2509933-A1 KINETIC RESOLUTION The Provost, Fellows, Foundation Scholars, & the other members of Board, of the College of the Holy & Undiv. Trinity of Queen Elizabeth near Dublin (IE) 2012-10-17 EP disclosed
WO-2011070028-A1 KINETIC RESOLUTION THE PROVOST, FELLOWS AND SCHOLARS OF THE COLLEGE OF THE HOLY AND UNDIVIDED TRINITY OF QUEEN ELIZABETH, NEAR DUBLIN (IE) 2011-06-16 WO disclosed
EP-2332895-A1 Kinetic Resolution The Provost, Fellows and Scholars of the College of the Holy and Undivided Trinity of Queen Elizabeth near Dublin (IE) 2011-06-15 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 (2 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-20150073170-A1 KINETIC RESOLUTION SPR, ADH5, ADH1C SLC6A2 1470/4885SLC6A4 1445/4885SLC6A3 780/4885
US-20120277437-A1 KINETIC RESOLUTION SPR, ADH5, ADH1C SLC6A2 1470/4885SLC6A4 1445/4885SLC6A3 780/4885

“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.