SCHEMBL693401

SCHEMBL693401

CCOC(=O)c1nc(-c2ccccc2)c(Br)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.56
RARA P10276 1/20 0.53
RARB P10826 1/20 0.53
RARG P13631 1/20 0.53
ADORA3 P0DMS8 3/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
DHODH Q02127 3/20 0.52
CDC7 O00311 2/20 0.52
DBF4 Q9UBU7 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
MAPT P10636 3/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL12942050 0.85 TRPM8 (0.57) ALDH1A1HPGDADORA3CYP1A2CYP2C9
SCHEMBL3900338 0.83 ALDH1A1 (0.56) ALDH1A1HPGDHSD17B10RARARARB
SCHEMBL17396343 0.83 FNTA (0.46) ALDH1A1HPGDHSD17B10RARARARB
SCHEMBL5909592 0.83 PTGS2 (0.59) ALDH1A1HPGDHSD17B10RARARARB
SCHEMBL12942239 0.82 FNTA (0.49) ALDH1A1HPGDHSD17B10ADORA3LMNA
SCHEMBL7457281 0.82 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10RARARARB
SCHEMBL3899141 0.80 ALDH1A1 (0.53) ALDH1A1HPGDHSD17B10RARARARB
SCHEMBL7457268 0.79 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10RARARARB
SCHEMBL1919084 0.79 ALDH1A1 (0.74) ALDH1A1HPGDHSD17B10CYP1A2CYP2C9
SCHEMBL20077808 0.79 DHODH (0.45) ALDH1A1HPGDHSD17B10CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8664203-B2 Thiazole derivatives and their use as P2Y12 receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2014-03-04 US disclosed
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-24 US disclosed
US-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-01 US disclosed
EP-2421859-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-02-29 EP disclosed
WO-2010122504-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-10-28 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-20120053149-A1 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 ALDH1A1 617/4885HPGD 1256/4885HSD17B10 3078/4885
US-20130281406-A2 THIAZOLE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS P2RY12, P2RY1, P2RY2 ALDH1A1 614/4885HPGD 1338/4885HSD17B10 2992/4885

“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.