SCHEMBL6325951

SCHEMBL6325951

COc1ccc(-c2nc(SC)oc2-c2ccc(OCCN)cc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.38
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ATR Q13535 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
LOXL2 Q9Y4K0 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PIK3CA P42336 3/20 0.35
MTOR P42345 1/20 0.35
RCE1 Q9Y256 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP2C9 P11712 1/20 0.34
HDAC1 Q13547 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL6278582 0.88 HSD17B10 (0.43) PPARDCYP2C19CYP1A2HSD17B10MEN1
SCHEMBL6538918 0.87 RCE1 (0.44) PPARDATRTAAR1ADORA2AADORA1
Hydrochloric Acid SCHEMBL6539296 0.86 HSD17B10 (0.42) PPARDCYP2C19CYP1A2HSD17B10MEN1
SCHEMBL6275255 0.84 LMNA (0.41) PPARDTAAR1PIK3CARCE1MEN1
SCHEMBL6231211 0.83 MEN1 (0.48) PPARDHSD17B10ATRMEN1KMT2A
SCHEMBL6539388 0.83 PPARD (0.38) PPARDATRTAAR1LOXL2PIK3CA
SCHEMBL6234081 0.82 PPARD (0.39) PPARDATRTAAR1LOXL2PIK3CA
SCHEMBL6539657 0.82 PPARD (0.43) PPARDATRTAAR1LOXL2RCE1
SCHEMBL6540560 0.82 ATR (0.38) PPARDATRTAAR1LOXL2PIK3CA
SCHEMBL6539478 0.82 HSD17B1 (0.42) PPARDCYP2C19CYP1A2ATRADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 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 (1 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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 PPARD 1747/4885CYP2C19 63/4885CYP1A2 33/4885

“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.