SCHEMBL23914842

SCHEMBL23914842

CCOc1cc2[nH]c(Cc3nn(CC(=O)NS(C)(=O)=O)c(=O)c4ccccc34)nc2cc1F

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 10/20 0.65
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CMA1 P23946 1/20 0.39
MAPT P10636 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL23908760 0.97 S1PR2 (0.67) S1PR2POLBATMCYP1A2CYP3A4
SCHEMBL23915668 0.92 S1PR2 (0.66) S1PR2POLBATMMAPTTP53
SCHEMBL23908866 0.89 S1PR2 (0.68) S1PR2POLBATMMAPTTP53
SCHEMBL23909034 0.87 S1PR2 (0.81) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23966890 0.83 S1PR2 (0.62) S1PR2POLBATMCYP1A2CYP3A4
SCHEMBL23915576 0.81 S1PR2 (0.67) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23915665 0.81 S1PR2 (0.62) S1PR2POLBTP53
SCHEMBL23908889 0.81 S1PR2 (0.93) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23914820 0.79 S1PR2 (0.94) S1PR2CMA1
SCHEMBL23908951 0.79 S1PR2 (1.00) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19

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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 S1PR2 3/4885POLB 3606/4885ATM 3325/4885

“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.