SCHEMBL2474982

SCHEMBL2474982

Cn1nc(-c2nc(-c3cccc4c3ccn4C(=O)O)no2)c2c1CC(C)(C)CC2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 4/20 0.35
IDH1 O75874 3/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CREBBP Q92793 1/20 0.31
CYP2C9 P11712 1/20 0.31
SYK P43405 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 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
SCHEMBL13262744 0.90 BUB1 (0.38) S1PR1CREBBPCYP2C9HCRTR1HCRTR2
SCHEMBL2468877 0.79 S1PR1 (0.40) S1PR1CYP2C9
SCHEMBL2473746 0.79 S1PR1 (0.48) S1PR1CYP2C9
SCHEMBL2473415 0.78 CREBBP (0.44) S1PR1CREBBP
SCHEMBL2523073 0.77 S1PR1 (0.39) S1PR1
SCHEMBL2472405 0.76 RARA (0.40) S1PR1MAPT
SCHEMBL2472625 0.75 S1PR1 (0.41) S1PR1MAPTCREBBPCYP2C9
SCHEMBL2467670 0.74 S1PR1 (0.37) S1PR1MAPTCYP2C9
SCHEMBL2470384 0.72 S1PR1 (0.43) S1PR1
SCHEMBL2473873 0.72 S1PR1 (0.41) S1PR1

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 3 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
EP-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010072352-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2010-07-01 WO 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 1/4885IDH1 2499/4885MAPT 3569/4885

“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.