SCHEMBL24045293

SCHEMBL24045293

CC(C)n1nc(-c2cccc(OC(F)F)c2)c2ncc(C(=O)O)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
DGAT2 Q96PD7 2/20 0.39
ALKBH1 Q13686 1/20 0.39
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
SLC22A12 Q96S37 3/20 0.37
PIK3CD O00329 2/20 0.37
ABL1 P00519 2/20 0.37
EGFR P00533 2/20 0.37
HCK P08631 2/20 0.37
SRC P12931 2/20 0.37
KDR P35968 2/20 0.37
PIK3CA P42336 2/20 0.37
PIK3CB P42338 2/20 0.37
MTOR P42345 2/20 0.37
PIK3CG P48736 2/20 0.37
EPHB4 P54760 2/20 0.37
PRKDC P78527 2/20 0.37

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
SCHEMBL30314628 1.00 RXRA (0.40) RXRARXRBDGAT2ALKBH1PDE1A
SCHEMBL24045292 0.88 TDP1 (0.39) DGAT2PDE1APDE1BPDE1CPDE4B
SCHEMBL30314670 0.88 TDP1 (0.39) DGAT2PDE1APDE1BPDE1CPDE4B
SCHEMBL24044979 0.87 DGAT2 (0.40) DGAT2PDE1APDE1BPDE1CPIK3CD
SCHEMBL24044980 0.87 DGAT2 (0.40) DGAT2PDE1APDE1BPDE1CPIK3CD
SCHEMBL30559987 0.87 DGAT2 (0.40) DGAT2PDE1APDE1BPDE1CPIK3CD
SCHEMBL24045052 0.87 DGAT2 (0.40) DGAT2PDE1APDE1BPDE1CPIK3CD
SCHEMBL24045068 0.87 DGAT2 (0.40) DGAT2PDE1APDE1BPDE1CPIK3CD
SCHEMBL24045057 0.87 DGAT2 (0.40) DGAT2PDE1APDE1BPDE1CPIK3CD
SCHEMBL30314715 0.87 DGAT2 (0.40) DGAT2PDE1APDE1BPDE1CPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-17 US disclosed
US-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors MERCK SHARP & DOHME LLC (US) 2023-10-17 US disclosed
US-20210363147-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-25 US disclosed
WO-2021236401-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-11-25 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-11787810-B2 Diacylglyceride O-acyltransferase 2 inhibitors DGAT2, DGAT1, ACAT2 RXRA 4032/4885RXRB 3921/4885DGAT2 1/4885
US-20210363147-A1 NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS DGAT2, DGAT1, ACAT2 RXRA 4138/4885RXRB 3924/4885DGAT2 1/4885

“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.