SCHEMBL23908918

SCHEMBL23908918

CC(C)(C)OC(=O)Cn1nc(Cc2nc3cc(OCC(F)F)c(Cl)cc3[nH]2)c2cc(Br)ccc2c1=O

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 12/20 0.69
PTGES O14684 1/20 0.36
RHEB Q15382 2/20 0.35
NLRP3 Q96P20 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
AKR1B1 P15121 2/20 0.32

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
SCHEMBL23966848 0.92 S1PR2 (0.72) S1PR2PTGESRHEBNLRP3
SCHEMBL23966844 0.91 S1PR2 (0.70) S1PR2RHEBNLRP3
SCHEMBL23966552 0.90 S1PR2 (0.84) S1PR2RHEBNLRP3AKR1B1
SCHEMBL23914694 0.89 S1PR2 (0.76) S1PR2
SCHEMBL23914704 0.85 S1PR2 (0.62) S1PR2PTGESRHEB
SCHEMBL23914869 0.84 S1PR2 (0.72) S1PR2RHEB
SCHEMBL23915328 0.84 S1PR2 (0.68) S1PR2AKR1B1
SCHEMBL23914693 0.83 S1PR2 (0.82) S1PR2
SCHEMBL23914601 0.82 S1PR2 (0.66) S1PR2
SCHEMBL23914603 0.81 S1PR2 (0.81) 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 4 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
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
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 3/4885PTGES 313/4885RHEB 2911/4885

“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.