SCHEMBL7471799

SCHEMBL7471799

CC([O])c1ccc2c(c1)OCO2

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2D6 P10635 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
KMT2A Q03164 5/20 0.50
MEN1 O00255 3/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.49
TAAR1 Q96RJ0 2/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A4 P31645 1/20 0.47
SLC6A3 Q01959 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KDM4E B2RXH2 1/20 0.47
OGA O60502 1/20 0.47

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
SCHEMBL1681872 0.84 CYP3A4 (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL10823820 0.84 CYP3A4 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL108228 0.83 CYP3A4 (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL70200 0.83 MEN1 (0.55) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24489511 0.80 CYP3A4 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL29664492 0.80 KMT2A (0.54) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1254034 0.80 TAAR1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL16325098 0.80 TAAR1 (0.56) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL20738508 0.80 CYP3A4 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL13754486 0.80 CYP3A4 (0.51) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 US disclosed
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2016-08-11 US disclosed
EP-3022199-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2016-05-25 EP disclosed
WO-2015008872-A1 CYANOTRIAZOLE COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-01-22 WO disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 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 (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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 CYP1A2 1825/4885CYP3A4 1816/4885CYP2D6 3454/4885
US-20160229816-A1 CYANOTRIAZOLE COMPOUNDS CS, PC, ACAT1 CYP1A2 1825/4885CYP3A4 1816/4885CYP2D6 3454/4885

“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.