SCHEMBL12619046

SCHEMBL12619046

CC(C)(C)[Si](C)(C)OCCNC(=O)Cn1ccc2c(-c3noc(-c4ccc(F)c(Cl)c4)n3)cccc21

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.50
CYP2C9 P11712 1/20 0.39
USP10 Q14694 3/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN1 Q05586 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL12619043 0.91 S1PR1 (0.42) S1PR1USP10GRIN2B
SCHEMBL12619054 0.89 S1PR1 (0.56) S1PR1CYP2C9
SCHEMBL12619057 0.83 S1PR1 (0.47) S1PR1CYP2C9USP10
SCHEMBL12619058 0.83 S1PR1 (0.45) S1PR1
SCHEMBL12619059 0.83 S1PR1 (0.47) S1PR1CYP2C9
SCHEMBL13303753 0.81 S1PR1 (0.38) S1PR1CYP2C9USP10ALDH1A1LMNA
SCHEMBL1794958 0.81 S1PR1 (0.55) S1PR1CYP2C9GRIN2BGRIN1
SCHEMBL3216422 0.77 S1PR1 (0.59) S1PR1CYP2C9
SCHEMBL3203770 0.73 S1PR1 (0.58) S1PR1CYP2C9
SCHEMBL12619441 0.73 S1PR1 (0.49) S1PR1CYP2C9

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
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
US-20100168159-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2010-07-01 US disclosed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US disclosed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 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 (2 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-20100168159-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 S1PR1 1/4885CYP2C9 3139/4885USP10 4213/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 S1PR1 1/4885CYP2C9 3139/4885USP10 4213/4885

“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.