SCHEMBL23915474

SCHEMBL23915474

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 8/20 0.41
AKR1B1 P15121 1/20 0.34
AR P10275 1/20 0.33
CACNA1H O95180 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
CCNT1 O60563 1/20 0.31
CDK9 P50750 1/20 0.31
QPCT Q16769 1/20 0.31
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
SCHEMBL23915007 0.91 S1PR2 (0.49) S1PR2AKR1B1ARCACNA1HS1PR1
SCHEMBL23908840 0.85 S1PR2 (0.49) S1PR2AKR1B1
SCHEMBL23915331 0.83 S1PR2 (0.55) S1PR2AKR1B1
SCHEMBL23915323 0.82 S1PR2 (0.54) S1PR2AKR1B1
SCHEMBL23915346 0.81 S1PR2 (0.55) S1PR2
SCHEMBL23915327 0.81 S1PR2 (0.54) S1PR2
SCHEMBL23914679 0.80 S1PR2 (0.56) S1PR2AKR1B1S1PR1
SCHEMBL23915330 0.80 S1PR2 (0.56) S1PR2
SCHEMBL23914605 0.80 S1PR2 (0.57) S1PR2
SCHEMBL23914851 0.79 S1PR2 (0.49) S1PR2AKR1B1

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 3/4885AKR1B1 124/4885AR 890/4885

“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.