SCHEMBL1963300

SCHEMBL1963300

CC(=O)SC(C)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.50
TRPA1 O75762 1/20 0.45
FFAR2 O15552 2/20 0.44
ADRB2 P07550 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
APEX1 P27695 1/20 0.40
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.38

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
SCHEMBL11446345 0.94 BRD4 (0.46) BRD4TRPA1FFAR2ADRB2SMN1; SMN2
SCHEMBL11850898 0.84 BRD4 (0.46) BRD4FFAR2ADRB2SMN1; SMN2GAA
SCHEMBL31275157 0.80 HDAC3 (0.41) HDAC4HDAC7HDAC5MEN1KMT2A
SCHEMBL1959777 0.79 TSHR (0.46) HPGDTSHRMEN1KMT2A
SCHEMBL1959288 0.77 MEN1 (0.47) HDAC4HDAC7HDAC5TSHRRAB9A
SCHEMBL1978248 0.77 DGAT1 (0.42) SMN1; SMN2SLC6A4SLC6A3RAB9APOLB
SCHEMBL19016545 0.76 SLC6A4 (0.49) BRD4FFAR2ADRB2SMN1; SMN2HPGD
SCHEMBL11712593 0.73 CHRNA7 (0.46) ADRB2SMN1; SMN2GAAHPGDRAB9A
SCHEMBL11838708 0.73 PTGS2 (0.43) BRD4TRPA1POLBMEN1KMT2A
SCHEMBL9837170 0.73 TRPA1 (0.47) BRD4TRPA1FFAR2SMN1; SMN2GAA

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 BRD4 2528/4885TRPA1 3668/4885FFAR2 3858/4885
US-20120277437-A1 KINETIC RESOLUTION SPR, ADH5, ADH1C BRD4 2528/4885TRPA1 3668/4885FFAR2 3858/4885

“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.