SCHEMBL455907

SCHEMBL455907

CCOC(=O)c1sc(-c2ccc(OCC(C)C)c(Br)c2)nc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 4/20 0.57
TARBP2 Q15633 2/20 0.57
ABCC4 O15439 1/20 0.57
ABCB11 O95342 1/20 0.57
PGR P06401 1/20 0.57
CHRM1 P11229 1/20 0.57
PDE4A P27815 1/20 0.57
BLVRB P30043 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
ABCG2 Q9UNQ0 1/20 0.57
CDC7 O00311 4/20 0.54
DBF4 Q9UBU7 4/20 0.54
PPID Q08752 1/20 0.49
LMNA P02545 1/20 0.48
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TRPM8 Q7Z2W7 6/20 0.46
MAPT P10636 2/20 0.44
DHODH Q02127 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL459923 0.88 XDH (0.58) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867933 0.88 XDH (0.72) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867176 0.88 XDH (0.57) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL469542 0.88 XDH (0.57) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL29555300 0.86 XDH (0.56) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8869214 0.86 XDH (0.56) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL457516 0.86 XDH (0.56) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL458831 0.86 XDH (0.56) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL8867150 0.85 CDC7 (0.54) XDHTARBP2ABCC4ABCB11PGR
SCHEMBL12034431 0.85 TARBP2 (0.55) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 US claimed
WO-2012032528-A2 IMPROVED PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2012-03-15 WO claimed
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
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 US disclosed
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 US disclosed
US-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2013-07-04 US 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
WO-2012032528-A2 IMPROVED PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2012-03-15 WO disclosed
WO-2012032528-A2 IMPROVED PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE NATCO PHARMA LIMITED (IN) 2012-03-15 WO disclosed
US-5614520-A 2-arylthiazole derivatives and pharmaceutical composition thereof TEIJIN LIMITED (JP) 1997-03-25 US disclosed
EP-0513379-B1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1996-09-11 EP disclosed
EP-0513379-A1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1992-11-19 EP 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-20130172571-A1 PROCESS TO PREPARE ETHYL 4-METHYL-2-(4-(2-METHYLPROPYLOXY)-3-CYANOPHENYL)-5-THIAZOLECARBOXYLATE FIP1L1, UMPS, UBXN4 XDH 55/4885TARBP2 2807/4885ABCC4 1420/4885
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.