SCHEMBL3462797

SCHEMBL3462797

CCn1nc(-c2nc(-c3ccc(C(=O)O)cc3C3CC3)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.38
RORC P51449 13/20 0.34
S1PR3 Q99500 1/20 0.33
NR1H4 Q96RI1 1/20 0.32
FABP4 P15090 1/20 0.32
FABP5 Q01469 1/20 0.32
RARA P10276 1/20 0.32
RARB P10826 1/20 0.32
RARG P13631 1/20 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
SCHEMBL3463052 0.93 CYP2D6 (0.33) S1PR1S1PR3
SCHEMBL2472183 0.91 OPRM1 (0.36) S1PR1S1PR3NR1H4
SCHEMBL3461503 0.89 S1PR1 (0.43) S1PR1S1PR3NR1H4RARARARB
SCHEMBL2474605 0.86 RARB (0.45) S1PR1RORCRARARARBRARG
SCHEMBL2833598 0.85 HSP90AA1 (0.31) S1PR1
SCHEMBL2474869 0.84 S1PR1 (0.38) S1PR1S1PR3NR1H4RARARARB
SCHEMBL3462877 0.82 S1PR1 (0.36) S1PR1S1PR3RARARARBRARG
SCHEMBL2469010 0.81 S1PR1 (0.38) S1PR1S1PR3NR1H4
SCHEMBL2474503 0.80 S1PR1 (0.40) S1PR1S1PR3
SCHEMBL2468846 0.80 OPRM1 (0.37) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 EP disclosed
EP-2202232-A1 1,2,4-oxadiazole derivatives and their therapeutic use Laboratorios Almirall, S.A. (ES) 2010-06-30 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 (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-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE S1PR1, S1PR2, S1PR3 S1PR1 1/4885RORC 280/4885S1PR3 3/4885

“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.