SCHEMBL301006

SCHEMBL301006

Cc1nc(-c2ccc(OCC(C)C)c(C#N)c2)sc1C(=O)OC(C)(C)C

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 9/20 0.77
TARBP2 Q15633 2/20 0.77
ABCC4 O15439 1/20 0.77
ABCB11 O95342 1/20 0.77
PGR P06401 1/20 0.77
CHRM1 P11229 1/20 0.77
PDE4A P27815 1/20 0.77
BLVRB P30043 1/20 0.77
HDAC6 Q9UBN7 1/20 0.77
ABCG2 Q9UNQ0 1/20 0.77
PPID Q08752 1/20 0.62
S1PR1 P21453 1/20 0.50
SLC22A12 Q96S37 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
SCHEMBL2635992 0.90 XDH (0.83) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL31601 0.89 XDH (0.80) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL458064 0.89 XDH (0.80) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL29655618 0.89 XDH (0.80) XDHTARBP2ABCC4ABCB11PGR
Febuxostat SCHEMBL30161803 0.87 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL16363788 0.87 XDH (0.85) XDHTARBP2ABCC4ABCB11PGR
Febuxostat SCHEMBL29398803 0.87 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR
Febuxostat SCHEMBL28271887 0.87 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR
Febuxostat SCHEMBL249339 0.87 XDH (1.00) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL22745230 0.87 XDH (0.77) XDHTARBP2ABCC4ABCB11PGR

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-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-20140228417-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-ARYLTHIAZOLE CARBOXYLIC ACIDS MAPI PHARMA LTD. (IL) 2014-08-14 US disclosed
EP-2763675-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-ARYLTHIAZOLE CARBOXYLIC ACIDS Mapi Pharma Limited (IL) 2014-08-13 EP disclosed
WO-2013050996-A2 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-ARYLTHIAZOLE CARBOXYLIC ACIDS MAPI PHARMA LTD. (IL) 2013-04-11 WO disclosed
CN-102333765-A Process for producing phenyl-substituted heterocyclic derivative through coupling using transition metal catalyst TEIJIN PHARMA LTD 2012-01-25 CN disclosed
EP-2404908-A1 PROCESS FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE THROUGH COUPLING USING TRANSITION METAL CATALYST Teijin Pharma Limited (JP) 2012-01-11 EP 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 XDH 1/4885TARBP2 2029/4885ABCC4 1185/4885
US-20140228417-A1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF SUBSTITUTED 2-ARYLTHIAZOLE CARBOXYLIC ACIDS XDH, NLRP3, PNPO XDH 1/4885TARBP2 2804/4885ABCC4 2113/4885

“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.