SCHEMBL7141032

SCHEMBL7141032

CCOC(=O)C(CSC(C)=O)Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.58
PPARA Q07869 2/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ABCC3 O15438 1/20 0.58
NR1I2 O75469 1/20 0.58
ABCB11 O95342 1/20 0.58
NR3C1 P04150 1/20 0.58
RARG P13631 1/20 0.58
CNR1 P21554 1/20 0.58
OPRK1 P41145 1/20 0.58
NR1H2 P55055 1/20 0.58
NR1H3 Q13133 1/20 0.58
NR1I3 Q14994 1/20 0.58
PPARG P37231 2/20 0.51
EPHX2 P34913 2/20 0.51
MMP8 P22894 1/20 0.50
MEN1 O00255 1/20 0.48

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
SCHEMBL7293157 0.88 CYP1A2 (0.69) CYP1A2PPARACYP3A4CYP2D6CYP2C9
SCHEMBL4177084 0.87 CYP1A2 (0.63) CYP1A2PPARACYP3A4CYP2D6CYP2C9
SCHEMBL7324339 0.86 PPARG (0.54) CYP1A2PPARAPPARGEPHX2MMP8
SCHEMBL10521821 0.84 MMP8 (0.61) CYP1A2PPARAPPARGEPHX2MMP8
SCHEMBL4611137 0.83 CYP1A2 (0.59) CYP1A2PPARACYP3A4CYP2D6CYP2C9
SCHEMBL838961 0.83 CYP1A2 (0.63) CYP1A2PPARACYP3A4CYP2D6CYP2C9
SCHEMBL838962 0.83 CYP1A2 (0.63) CYP1A2PPARACYP3A4CYP2D6CYP2C9
SCHEMBL6154521 0.83 CYP1A2 (0.63) CYP1A2PPARACYP3A4CYP2D6CYP2C9
SCHEMBL7325865 0.83 CYP1A2 (0.56) CYP1A2PPARACYP3A4CYP2D6CYP2C9
SCHEMBL7325869 0.83 CYP1A2 (0.56) CYP1A2PPARACYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030139419-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents ASTRAZENECA AB (SE) 2003-07-24 US disclosed
US-20030100548-A1 Arylpiperazines and their use as metallaproteinase inhibiting agents (mmp) ASTRAZENECA AB (SE) 2003-05-29 US disclosed
CN-1404474-A Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibitors ASTRAZENECA AB (SE) 2003-03-19 CN disclosed
EP-1274697-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) AstraZeneca AB (SE) 2003-01-15 EP disclosed
EP-1261595-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS AstraZeneca AB (SE) 2002-12-04 EP disclosed
WO-2001062751-A1 ARYLPIPERAZINES AND ARYLPIPERIDINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
WO-2001062750-A1 ARYLPIPERAZINES AND THEIR USE AS METALLOPROTEINASE INHIBITING AGENTS (MMP) ASTRAZENECA AB (SE) 2001-08-30 WO disclosed
US-4914129-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1990-04-03 US disclosed
US-4889869-A ANTIALDOSTERONISM AGENTS CIBA-GEIGY CORPORATION (US) 1989-12-26 US disclosed
US-4758584-A Antihypertensive 5-amino-4-hydroxyvaleryl derivatives substituted by sulphur-containing groups CIBA-GEIGY CORPORATION (US) 1988-07-19 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-20030100548-A1 Arylpiperazines and their use as metallaproteinase inhibiting agents (mmp) MMP13, MMP3, MMP11 CYP1A2 151/4885PPARA 2795/4885CYP3A4 542/4885
US-20030139419-A1 Arylpiperazines and arylpiperidines and their use as metalloproteinase inhibiting agents MMP13, MMP3, MMP2 CYP1A2 70/4885PPARA 1926/4885CYP3A4 302/4885

“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.