SCHEMBL23915331

SCHEMBL23915331

CC(C)(C)OC(=O)Cn1nc(Cc2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)c2c(c1=O)CCCC2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.55
EGLN1 Q9GZT9 2/20 0.35
TP53 P04637 1/20 0.33
AKR1B1 P15121 2/20 0.33
PGK1 P00558 1/20 0.32
MAPT P10636 1/20 0.32
PLA2G7 Q13093 1/20 0.32
RHEB Q15382 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
SCHEMBL23915327 0.92 S1PR2 (0.54) S1PR2EGLN1TP53PGK1MAPT
SCHEMBL23915346 0.91 S1PR2 (0.55) S1PR2PGK1RHEB
SCHEMBL23908751 0.90 S1PR2 (0.67) S1PR2EGLN1TP53AKR1B1MAPT
SCHEMBL23915330 0.89 S1PR2 (0.56) S1PR2TP53MAPTPLA2G7RHEB
SCHEMBL23966889 0.89 S1PR2 (0.58) S1PR2EGLN1TP53AKR1B1PGK1
SCHEMBL23914843 0.88 S1PR2 (0.54) S1PR2EGLN1TP53PGK1MAPT
SCHEMBL23914605 0.88 S1PR2 (0.57) S1PR2RHEB
SCHEMBL23966566 0.86 S1PR2 (0.52) S1PR2EGLN1PGK1
SCHEMBL23914855 0.85 S1PR2 (0.77) S1PR2TP53
SCHEMBL23908773 0.84 S1PR2 (0.58) S1PR2EGLN1TP53RHEB

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 3/4885EGLN1 1677/4885TP53 4269/4885

“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.