SCHEMBL4133545

SCHEMBL4133545

NC(=O)CC(S)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
MME P08473 2/20 0.49
CYP1A2 P05177 1/20 0.48
ACE P12821 3/20 0.47
CPA1 P15085 2/20 0.47
CPA3 P15088 2/20 0.47
FOLH1 Q04609 1/20 0.47
CPB1 P15086 1/20 0.47
CPB2 Q96IY4 1/20 0.47
SRR Q9GZT4 2/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
MDM2 Q00987 1/20 0.44

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
SCHEMBL1559016 0.84 CPA3 (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27302393 0.82 ALPI (0.52) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3080357 0.79 MME (0.47) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL8302412 0.78 EPHX1 (0.61) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL7346978 0.78 EPHX1 (0.61) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL28148321 0.78 TRPA1 (0.61) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL7346982 0.78 EPHX1 (0.61) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL27406738 0.78 SRR (0.55) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL28589045 0.77 EPHX1 (0.59) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL28589046 0.77 EPHX1 (0.59) EPHX1ALPIPKMPTGS1XIAP

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-20090192202-A1 ANDROGEN MODULATORS PFIZER INC 2009-07-30 US disclosed
US-7507860-B2 Androgen modulators PFIZER INC. (US) 2009-03-24 US disclosed
US-20070197641-A1 Androgen modulators HU LAIN-YEN 2007-08-23 US disclosed
EP-1737813-A1 ANDROGEN MODULATORS Warner-Lambert Company LLC (US) 2007-01-03 EP disclosed
WO-2005100305-A1 ANDROGEN MODULATORS WARNER-LAMBERT COMPANY LLC (US) 2005-10-27 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 (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-20070197641-A1 Androgen modulators AR, NR5A1, SHBG EPHX1 3436/4885ALPI 3649/4885PKM 3285/4885
US-20090192202-A1 ANDROGEN MODULATORS AR, NR5A1, SHBG EPHX1 3436/4885ALPI 3649/4885PKM 3285/4885

“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.