SCHEMBL23915346

SCHEMBL23915346

CCOc1cc2[nH]c(Cc3nn(CC(=O)OC(C)(C)C)c(=O)c4c3CCCC4)nc2cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 11/20 0.55
RHEB Q15382 2/20 0.34
CNR2 P34972 1/20 0.33
PPOX P50336 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CCNB2 O95067 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK1 P06493 1/20 0.31
CDK4 P11802 1/20 0.31
CCNB1 P14635 1/20 0.31
CCND1 P24385 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
PGK1 P00558 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) S1PR2RHEBPOLBPGK1
SCHEMBL23914605 0.91 S1PR2 (0.57) S1PR2RHEBCNR2
SCHEMBL23915330 0.91 S1PR2 (0.56) S1PR2RHEB
SCHEMBL23915331 0.91 S1PR2 (0.55) S1PR2RHEBPGK1
SCHEMBL23908754 0.90 S1PR2 (0.67) S1PR2RHEBCNR2PPOX
SCHEMBL23915204 0.85 S1PR2 (0.77) S1PR2
SCHEMBL23914693 0.82 S1PR2 (0.82) S1PR2
SCHEMBL23908798 0.82 S1PR2 (0.66) S1PR2
SCHEMBL23966580 0.81 S1PR2 (0.55) S1PR2RHEBCNR2
SCHEMBL23908751 0.80 S1PR2 (0.67) S1PR2

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 3/4885RHEB 2911/4885CNR2 17/4885

“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.