SCHEMBL23909101

SCHEMBL23909101

CNC(=O)C(n1nc(Cc2nc3cc(OCC4(C#N)CC4)c(Cl)cc3[nH]2)c2ccccc2c1=O)[SH](=O)=O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 14/20 0.52
KCNH2 Q12809 1/20 0.36
RHEB Q15382 2/20 0.35
AKR1B1 P15121 1/20 0.31
LMNA P02545 1/20 0.31
CMA1 P23946 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
SCHEMBL23908970 0.91 S1PR2 (0.54) S1PR2KCNH2RHEBLMNACMA1
SCHEMBL23909008 0.86 S1PR2 (0.68) S1PR2KCNH2
SCHEMBL23914738 0.83 S1PR2 (0.73) S1PR2AKR1B1CMA1
SCHEMBL23909124 0.82 S1PR2 (0.56) S1PR2KCNH2RHEB
SCHEMBL23908865 0.81 S1PR2 (0.63) S1PR2AKR1B1
SCHEMBL23908805 0.80 S1PR2 (0.69) S1PR2AKR1B1CMA1
SCHEMBL23966612 0.80 S1PR2 (0.58) S1PR2RHEB
SCHEMBL23909082 0.80 S1PR2 (0.57) S1PR2AKR1B1CMA1
SCHEMBL23909119 0.79 S1PR2 (0.54) S1PR2AKR1B1CMA1
SCHEMBL23915332 0.78 S1PR2 (0.58) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 3/4885KCNH2 1865/4885RHEB 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.