SCHEMBL23909082

SCHEMBL23909082

CNC(=O)C(n1nc(Cc2nc3cc(OCC(F)F)c(F)cc3[nH]2)c2ccccc2c1=O)[SH](=O)=O

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 8/20 0.57
CMA1 P23946 3/20 0.33
AKR1B1 P15121 1/20 0.32
NTRK1 P04629 1/20 0.32
NTRK3 Q16288 1/20 0.32
MAP4K1 Q92918 2/20 0.31
POLB P06746 1/20 0.31
GRM4 Q14833 1/20 0.31
ERBB2 P04626 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31

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
SCHEMBL23909119 0.92 S1PR2 (0.54) S1PR2CMA1AKR1B1EGLN1
SCHEMBL23909124 0.82 S1PR2 (0.56) S1PR2
SCHEMBL23908998 0.81 S1PR2 (0.83) S1PR2CMA1AKR1B1
SCHEMBL23909008 0.80 S1PR2 (0.68) S1PR2
SCHEMBL23908970 0.80 S1PR2 (0.54) S1PR2CMA1EGLN1
SCHEMBL23909101 0.80 S1PR2 (0.52) S1PR2CMA1AKR1B1
SCHEMBL23966880 0.79 S1PR2 (0.67) S1PR2AKR1B1POLB
SCHEMBL23908866 0.79 S1PR2 (0.68) S1PR2AKR1B1POLB
SCHEMBL23915328 0.78 S1PR2 (0.68) S1PR2CMA1AKR1B1POLB
SCHEMBL23915668 0.76 S1PR2 (0.66) S1PR2AKR1B1POLB

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 3/4885CMA1 260/4885AKR1B1 124/4885

“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.