SCHEMBL3216422

SCHEMBL3216422

O=C(Cn1ccc2c(-c3noc(-c4ccc(OC(CF)CF)c(Cl)c4)n3)cccc21)NCCO

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 20/20 0.59
CYP2C9 P11712 1/20 0.47
S1PR3 Q99500 2/20 0.41

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
SCHEMBL12619433 0.90 S1PR1 (0.50) S1PR1S1PR3
SCHEMBL12619054 0.89 S1PR1 (0.56) S1PR1CYP2C9S1PR3
SCHEMBL1794760 0.88 S1PR1 (0.64) S1PR1CYP2C9S1PR3
SCHEMBL3203770 0.82 S1PR1 (0.58) S1PR1CYP2C9S1PR3
SCHEMBL3207689 0.81 S1PR1 (0.51) S1PR1CYP2C9S1PR3
SCHEMBL3196593 0.81 S1PR1 (0.51) S1PR1CYP2C9S1PR3
SCHEMBL12619058 0.80 S1PR1 (0.45) S1PR1S1PR3
SCHEMBL403364 0.79 S1PR1 (0.85) S1PR1CYP2C9S1PR3
SCHEMBL3216955 0.78 S1PR1 (0.78) S1PR1CYP2C9S1PR3
SCHEMBL12619077 0.78 S1PR1 (0.55) S1PR1S1PR3

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2003132-B1 Oxadiazole derivatives as S1P1 agonists ASTELLAS PHARMA INC (JP) 2014-03-05 EP claimed
US-7678820-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2010-03-16 US claimed
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US claimed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 EP claimed
US-7951825-B2 Hetero compound ASTELLAS PHARMA INC. (JP) 2011-05-31 US disclosed
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-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-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
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 3139/4885S1PR3 7/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 S1PR1 1/4885CYP2C9 3139/4885S1PR3 7/4885

“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.