SCHEMBL23601322

SCHEMBL23601322

CN(c1cc(F)cc(-c2ccc(S(C)(=O)=O)cc2)c1)c1nc2nncn2c2cc(Cl)ccc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.38
KDM1A O60341 2/20 0.37
PTGS1 P23219 1/20 0.33
IDO1 P14902 1/20 0.33
PTGDR2 Q9Y5Y4 4/20 0.33
CYP2C8 P10632 2/20 0.33
CYP2C19 P33261 2/20 0.33
MAT2A P31153 1/20 0.33
CYP2C9 P11712 1/20 0.33
TDO2 P48775 1/20 0.32

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
SCHEMBL31169440 1.00 PTGS2 (0.38) PTGS2KDM1APTGS1IDO1PTGDR2
SCHEMBL23601032 0.87 RORC (0.40) PTGS2KDM1APTGS1IDO1
SCHEMBL23601759 0.86 FNTA (0.34) MAT2A
SCHEMBL31229450 0.86 MAT2A (0.31) MAT2A
SCHEMBL23601443 0.86 MAT2A (0.31) MAT2A
SCHEMBL23577545 0.85 MAT2A (0.34) MAT2A
SCHEMBL23601004 0.82 MAT2A (0.36) MAT2A
SCHEMBL23601739 0.82 CCNC (0.34) MAT2A
SCHEMBL23601742 0.82 MAPT (0.30)
SCHEMBL29909380 0.82 CCNC (0.34) MAT2A

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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2022-10-13 US disclosed
WO-2021130638-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS CARNA BIOSCIENCES, INC. (JP) 2021-07-01 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-20220324866-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS DGKG, DGKB, DGKK PTGS2 1810/4885KDM1A 2569/4885PTGS1 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.