SCHEMBL3105613

SCHEMBL3105613

CCOC(=O)C(C)(S)Oc1cc(C)c2ncc(Cl)cc2c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HTR2A P28223 1/20 0.40
PMP22 Q01453 1/20 0.40
PPARA Q07869 1/20 0.40
MAOB P27338 1/20 0.35
OPRK1 P41145 1/20 0.35
CNR2 P34972 2/20 0.34
HTT P42858 1/20 0.33
FBP1 P09467 6/20 0.33
HPGD P15428 1/20 0.32
SSTR4 P31391 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL1928118 0.86 ABCB11 (0.32) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL1926293 0.76 FBP1 (0.34) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL3103668 0.73 MAPT (0.42) CYP1A2CYP3A4TSHRMAOBHTT
SCHEMBL3103661 0.73 MAPT (0.37) CYP1A2CYP3A4HPGDMEN1KMT2A
SCHEMBL29362445 0.70 PARP1 (0.34) HPGDALDH1A1
SCHEMBL3103588 0.68 MCL1 (0.38) CYP3A4TSHRHTTHPGDALDH1A1
SCHEMBL3646689 0.68 TDP1 (0.38) CYP1A2TSHRHPGDKMT2AALDH1A1
SCHEMBL3103586 0.68 MCL1 (0.33) CYP3A4TSHRHPGDMEN1KMT2A
SCHEMBL1928587 0.68 FBP1 (0.39) ABCB11CYP1A2CYP3A4TSHRHTR2A
SCHEMBL3103581 0.67 TSHR (0.35) TSHRHTR2AHTTTP53

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
EP-2185520-B1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2012-12-26 EP disclosed
US-20100256183-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2010-10-07 US disclosed
EP-2185520-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES Sygenta Participations AG. (CH) 2010-05-19 EP disclosed
WO-2009030469-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERITVATIVES SYGENTA PARTICIPATIONS AG, (CH) 2009-03-12 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-20100256183-A1 FUNGICIDAL 2-ALKYLTHIO-2-QUINOLINYLOXY-ACETAMIDE DERIVATIVES CYP1A2, AADAC, CYP51A1 ABCB11 904/4885CYP1A2 1/4885CYP3A4 35/4885

“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.