SCHEMBL1797335

SCHEMBL1797335

Fc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 19/20 0.57
PSMD11 O00231 1/20 0.56
S1PR3 Q99500 2/20 0.43

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
SCHEMBL21126300 0.88 S1PR1 (0.64) S1PR1PSMD11S1PR3
SCHEMBL12653274 0.88 S1PR1 (0.56) S1PR1PSMD11S1PR3
SCHEMBL12619228 0.84 S1PR1 (0.63) S1PR1PSMD11
SCHEMBL12653355 0.84 S1PR1 (0.66) S1PR1PSMD11
SCHEMBL12619444 0.84 PSMD11 (0.58) S1PR1PSMD11S1PR3
SCHEMBL12619225 0.82 S1PR1 (0.75) S1PR1PSMD11S1PR3
SCHEMBL12619306 0.82 S1PR1 (0.67) S1PR1PSMD11
Asp-4058 SCHEMBL3218310 0.81 S1PR1 (0.86) S1PR1PSMD11S1PR3
Asp-4058 SCHEMBL1798268 0.81 S1PR1 (0.86) S1PR1PSMD11S1PR3
SCHEMBL12619232 0.81 S1PR1 (0.62) S1PR1PSMD11

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 14 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 disclosed
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-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-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-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
US-20090076070-A1 HETERO COMPOUND ASTELLAS PHARMA INC. (JP) 2009-03-19 US disclosed
EP-2003132-A1 HETERO COMPOUND Astellas Pharma Inc. (JP) 2008-12-17 EP 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 1/4885PSMD11 2632/4885S1PR3 7/4885
US-20090076070-A1 HETERO COMPOUND S1PR1, ENPP2, LPAR1 S1PR1 1/4885PSMD11 2632/4885S1PR3 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.