SCHEMBL14740677

SCHEMBL14740677

O=C(O)COC(=S)c1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
PARP1 P09874 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
RAB9A P51151 1/20 0.45
PKM P14618 1/20 0.43
KCNH2 Q12809 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL28550151 0.81 PAM (0.50) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL9586306 0.78 ELANE (0.45) PARP1KMT2APKMSMN1; SMN2ALDH1A1
Thiobenzoic Acid SCHEMBL162937 0.76 PAM (0.46) MEN1KMT2ARAB9AL3MBTL1SMN1; SMN2
Thiobenzoic Acid SCHEMBL10793587 0.73 PAM (0.43) MEN1KMT2ARAB9AL3MBTL1SMN1; SMN2
Thiobenzoic Acid SCHEMBL4832164 0.72 CA2 (0.42) ERCC5FEN1MEN1KMT2AL3MBTL1
SCHEMBL9446699 0.71 PAM (0.67) MEN1KMT2AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL11852856 0.71 MEN1 (0.49) ERCC5FEN1PARP1MEN1KMT2A
SCHEMBL29360692 0.70 PARP1 (0.65) ERCC5FEN1PARP1RAB9AL3MBTL1
Benzene SCHEMBL28107074 0.70 PARP1 (0.65) ERCC5FEN1PARP1RAB9AL3MBTL1
SCHEMBL38766 0.70 PARP1 (0.65) ERCC5FEN1PARP1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598441-B2 Therapeutic compounds and methods WAYNE STATE UNIVERSITY (US) 2017-03-21 US disclosed
US-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2014-08-07 US disclosed
EP-2750508-A1 THERAPEUTIC COMPOUNDS AND METHODS Wayne State University (US) 2014-07-09 EP disclosed
WO-2013033392-A1 THERAPEUTIC COMPOUNDS AND METHODS WAYNE STATE UNIVERSITY (US) 2013-03-07 WO 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-20140221412-A1 THERAPEUTIC COMPOUNDS AND METHODS XPOT, FANCI, XPO5 ERCC5 495/4885FEN1 1562/4885PARP1 1446/4885

“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.