SCHEMBL31068641

SCHEMBL31068641

CS(=O)(=O)OCc1ncc(F)cc1OCC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.37
UGCG Q16739 2/20 0.37
CYP17A1 P05093 5/20 0.36
PTGS2 P35354 1/20 0.35
MRGPRX1 Q96LB2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
G6PD P11413 1/20 0.34
ALOX15 P16050 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AGBL2 Q5U5Z8 1/20 0.33

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
SCHEMBL12468456 0.78 AGBL2 (0.38) AGBL2TLR7
SCHEMBL22980389 0.76 AGBL2 (0.36) AGBL2TLR7
SCHEMBL29726323 0.76 AGBL2 (0.36) AGBL2TLR7
SCHEMBL30328484 0.73 AGBL2 (0.42) PTGS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL19859174 0.73 AGBL2 (0.35) AGBL2TLR7
SCHEMBL31068642 0.71 MAPT (0.46) CNR2ALDH1A1KDM4EMEN1USP2
SCHEMBL8042808 0.70 AGBL2 (0.42) PTGS2ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL29728392 0.69 SSTR4 (0.34) AGBL2
SCHEMBL1722950 0.69 L3MBTL1 (0.58) ALDH1A1MEN1MAPTKMT2AL3MBTL1
SCHEMBL30896185 0.68 MAPT (0.43) CNR2MRGPRX1ALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240254114-A1 PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE 0-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-01 US 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-20240254114-A1 PREPARATION OF FUSED AZOLE DERIVATIVES AS NOVEL DIACYLGLYCERIDE 0-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 CNR2 1112/4885UGCG 103/4885CYP17A1 308/4885

“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.