SCHEMBL23915575

SCHEMBL23915575

CCOc1cc2nc(Cc3nn(CC(=O)OC)c(=O)c4c(C)cccc34)[nH]c2cc1Cl

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.69
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.37
THRB P10828 1/20 0.37
CMA1 P23946 1/20 0.36
MAPT P10636 1/20 0.36
F9 P00740 2/20 0.36
CNR2 P34972 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL23908819 0.93 S1PR2 (0.80) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23966531 0.84 S1PR2 (0.87) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23908951 0.82 S1PR2 (1.00) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23966530 0.82 S1PR2 (0.82) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23914693 0.81 S1PR2 (0.82) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23908889 0.79 S1PR2 (0.93) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23915204 0.78 S1PR2 (0.77) S1PR2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL23908982 0.77 S1PR2 (1.00) S1PR2TP53CMA1
SCHEMBL23966818 0.77 S1PR2 (0.65) S1PR2CYP3A4CYP2C9TP53F9
SCHEMBL23966542 0.77 S1PR2 (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
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 3/4885CYP1A2 1079/4885CYP3A4 3508/4885

“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.