SCHEMBL2469425

SCHEMBL2469425

COc1ccc(-c2nnc(-c3nn(C)c4c3CCC(C)(C)C4)s2)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 3/20 0.37
MAP4K1 Q92918 1/20 0.33
CTSS P25774 4/20 0.32
CTSK P43235 2/20 0.32
ALOX15 P16050 1/20 0.32
PTGS2 P35354 1/20 0.32
IDH1 O75874 1/20 0.32
S1PR1 P21453 2/20 0.31
PTPN11 Q06124 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR5 Q9H228 1/20 0.31
GRM2 Q14416 2/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2474427 0.88 S1PR4 (0.30) S1PR1S1PR4S1PR5
SCHEMBL2471462 0.84 S1PR1 (0.41) S1PR1KDM4EALDH1A1HPGDMAPK1
SCHEMBL2473819 0.83
SCHEMBL2473342 0.80 S1PR1 (0.49) S1PR1S1PR5KDM4EALDH1A1HSD17B10
SCHEMBL2475057 0.78 ALOX15 (0.31) ALOX15PTGS2S1PR1
SCHEMBL2476219 0.77 S1PR1 (0.39) S1PR1
SCHEMBL2466953 0.74 S1PR1 (0.37) S1PR1
SCHEMBL2472245 0.73
SCHEMBL2473488 0.70 S1PR1 (0.36) S1PR1KDM4EALDH1A1CYP1A2HPGD
SCHEMBL13262767 0.70 UGCG (0.37) HPGD

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 PIK3CA 633/4885MAP4K1 2586/4885CTSS 3880/4885

“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.