SCHEMBL2473488

SCHEMBL2473488

Cn1nc(-c2nnc(-c3ccc(O)c(C(F)(F)F)c3)o2)c2c1CC(C)(C)CC2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.36
KCNH2 Q12809 1/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
NOTUM Q6P988 5/20 0.34
SNCA P37840 2/20 0.34
P2RX7 Q99572 1/20 0.32
ALDH1A1 P00352 3/20 0.31
HPGD P15428 2/20 0.31
BACE1 P56817 2/20 0.30
BACE2 Q9Y5Z0 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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
SCHEMBL2471462 0.87 S1PR1 (0.41) S1PR1KCNH2ALDH1A1HPGDKDM4E
SCHEMBL2470263 0.85 S1PR1 (0.39) S1PR1ESR1ESR2
SCHEMBL2467513 0.85 S1PR1 (0.38) S1PR1
SCHEMBL2475084 0.85 S1PR1 (0.34) S1PR1KCNH2NOTUMBACE1BACE2
SCHEMBL2472884 0.84 S1PR1 (0.34) S1PR1KCNH2NOTUMBACE1BACE2
SCHEMBL2470738 0.83 SNCA (0.34) SNCAP2RX7
SCHEMBL2472889 0.83 S1PR1 (0.38) S1PR1KCNH2NOTUM
SCHEMBL2471557 0.79 S1PR1 (0.33) S1PR1
SCHEMBL2472524 0.79 S1PR1 (0.42) S1PR1ACHE
SCHEMBL13262785 0.79 S1PR1 (0.35) S1PR1KCNH2NOTUM

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-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 1/4885KCNH2 2667/4885ESR1 1052/4885

“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.