SCHEMBL23914843

SCHEMBL23914843

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

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.54
TP53 P04637 1/20 0.37
MAPT P10636 4/20 0.36
EGLN1 Q9GZT9 1/20 0.34
PGK1 P00558 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
DGAT2 Q96PD7 1/20 0.33
CACNA1G O43497 1/20 0.33
CACNA1H O95180 1/20 0.33
CACNA1B Q00975 1/20 0.33
CACNA1C Q13936 1/20 0.33

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
SCHEMBL23966889 0.90 S1PR2 (0.58) S1PR2TP53MAPTEGLN1PGK1
SCHEMBL23908751 0.90 S1PR2 (0.67) S1PR2TP53MAPTEGLN1LMNA
SCHEMBL23915331 0.88 S1PR2 (0.55) S1PR2TP53MAPTEGLN1PGK1
SCHEMBL23908777 0.85 S1PR2 (0.51) S1PR2TP53MAPTEGLN1
SCHEMBL23908773 0.83 S1PR2 (0.58) S1PR2TP53EGLN1LMNA
SCHEMBL23908798 0.81 S1PR2 (0.66) S1PR2TP53EGLN1
SCHEMBL23915327 0.80 S1PR2 (0.54) S1PR2TP53MAPTEGLN1PGK1
SCHEMBL23908754 0.80 S1PR2 (0.67) S1PR2
SCHEMBL23908988 0.80 S1PR2 (0.47) S1PR2MAPTLMNASMN1; SMN2CACNA1H
SCHEMBL23915346 0.79 S1PR2 (0.55) S1PR2PGK1POLB

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 3/4885TP53 4269/4885MAPT 4876/4885

“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.