SCHEMBL29909623

SCHEMBL29909623

CN(c1cc(F)cc(-c2ccc(S(C)(=O)=O)cc2)c1)c1nc2nnc(Cl)n2c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.35
PTGS2 P35354 12/20 0.35
PTGS1 P23219 3/20 0.35
CYP2C8 P10632 3/20 0.34
CYP2C19 P33261 3/20 0.34
CYP2C9 P11712 2/20 0.34
KDM1A O60341 1/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL29909415 0.88 RORC (0.37) PTGS2PTGS1ABCG2
SCHEMBL30961017 0.85 ABCG2 (0.34) ABCG2
SCHEMBL29909083 0.84 ABCG2 (0.33) ABCG2
SCHEMBL29909909 0.83 DHODH (0.41) PTGS2PTGS1ABCG2
SCHEMBL29909607 0.80 ABCG2 (0.34) PTGS2PTGS1ABCG2
SCHEMBL29909707 0.80 ABCG2 (0.36) ABCG2
SCHEMBL29909927 0.79 RORC (0.38) PTGS2PTGS1CYP2C19CYP2C9KDM1A
SCHEMBL29909330 0.79 CYP1A2 (0.38) CYP2C19CYP2C9ABCG2
SCHEMBL29909745 0.79 PTGS2 (0.36) PTGS2PTGS1KDM1A
SCHEMBL23601322 0.79 PTGS2 (0.38) PTGDR2PTGS2PTGS1CYP2C8CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12054490-B2 Diacylglycerol kinase modulating compounds GILEAD SCIENCES, INC. (US) 2024-08-06 US disclosed
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP 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-12054490-B2 Diacylglycerol kinase modulating compounds DGKG, DGKB, DGKK PTGDR2 837/4885PTGS2 1810/4885PTGS1 1792/4885

“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.