SCHEMBL12034449

SCHEMBL12034449

CCOC(=O)c1sc(-c2nc(C)c(C(=O)OCC)s2)nc1C

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.69
DBF4 Q9UBU7 4/20 0.69
ALDH1A1 P00352 7/20 0.66
KDM4E B2RXH2 3/20 0.66
LMNA P02545 3/20 0.64
HPGD P15428 3/20 0.61
HSD17B10 Q99714 1/20 0.58
NPC1 O15118 2/20 0.55
MAPT P10636 1/20 0.54
RAB9A P51151 1/20 0.54
CYP1A2 P05177 1/20 0.53
TRPM8 Q7Z2W7 2/20 0.53
TSHR P16473 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51

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
SCHEMBL6005512 0.89 ALDH1A1 (0.62) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL2498385 0.85 NPC1 (0.72) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL26659237 0.84 LMNA (0.71) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL3827647 0.84 KDM4E (0.69) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL892889 0.84 CDC7 (0.77) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL1316281 0.84 CDC7 (0.77) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL27899564 0.83 ALDH1A1 (0.59) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL288785 0.83 ALDH1A1 (0.59) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL290384 0.83 CDC7 (0.75) CDC7DBF4ALDH1A1KDM4ELMNA
SCHEMBL5733147 0.83 CDC7 (1.00) CDC7DBF4ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
US-8952174-B2 Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LIMITED (JP) 2015-02-10 US disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
US-8916714-B2 Method for producing phenyl-substituted heterocyclic derivative by means of coupling method using palladium compound TEIJIN PHARMA LIMITED (JP) 2014-12-23 US disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 US disclosed
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND TEIJIN PHARMA LIMITED (JP) 2013-06-20 US disclosed
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST TEIJIN PHARMA LIMITED (JP) 2011-12-22 US disclosed
US-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST TEIJIN PHARMA LIMITED (JP) 2011-12-22 US disclosed
WO-2010098428-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST 帝人ファーマ株式会社 (JP) 2010-09-02 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-20110313169-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST XDH, PAH, HPRT1 CDC7 3666/4885DBF4 2624/4885ALDH1A1 308/4885
US-20130158272-A1 METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND XDH, AOC1, PAH CDC7 2114/4885DBF4 745/4885ALDH1A1 150/4885

“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.