SCHEMBL20113451

SCHEMBL20113451

CCCC(=O)SCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
IDO1 P14902 6/20 0.47
NOS3 P29474 1/20 0.47
NOS1 P29475 1/20 0.47
NOS2 P35228 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.45
ALOX5 P09917 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
EPHX2 P34913 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL2589963 0.87 MEN1 (0.58) L3MBTL1TDP1MEN1KMT2AHDAC3
SCHEMBL45253 0.84 TDP1 (0.61) L3MBTL1TDP1CYP2C19IDO1NOS3
SCHEMBL14158550 0.82 L3MBTL1 (0.57) L3MBTL1TDP1CYP2C19CYP3A4MEN1
SCHEMBL28219587 0.81 MAPT (0.58) L3MBTL1TDP1CYP2C19IDO1NOS3
SCHEMBL8922205 0.80 EPHX2 (0.61) TDP1CYP2C19CYP3A4KMT2AEPHX2
SCHEMBL6963636 0.79 TDP1 (0.59) L3MBTL1TDP1CYP2C19IDO1NOS3
SCHEMBL469338 0.79 IDO1 (0.55) L3MBTL1TDP1CYP2C19IDO1NOS3
SCHEMBL28889354 0.79 CA12 (0.52) L3MBTL1TDP1CYP2C19IDO1NOS3
SCHEMBL11291081 0.79 CYP2C19 (0.70) L3MBTL1TDP1CYP2C19CYP3A4IDO1
Ethylene SCHEMBL28219597 0.78 MAPT (0.55) L3MBTL1TDP1CYP2C19IDO1NOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020159448-A1 MOLECULAR RENAL PROBES FOR DETECTING ACUTE KIDNEY INJURY NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2020-08-06 WO disclosed
US-10633403-B2 N-heterocyclic phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA (US) 2020-04-28 US disclosed
US-20180118770-A1 N-Heterocyclic Phosphines THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS 2018-05-03 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 (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-20180118770-A1 N-Heterocyclic Phosphines NANP, PPIP5K2, PHPT1 L3MBTL1 3799/4885TDP1 2513/4885CYP2C19 2738/4885
US-10633403-B2 N-heterocyclic phosphines NANP, PPIP5K2, PHPT1 L3MBTL1 3799/4885TDP1 2513/4885CYP2C19 2738/4885

“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.