SCHEMBL1338515

SCHEMBL1338515

CCc1ncc(C(=O)O)c2c1CC(C)(C)CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 3/20 0.37
▸ GABRD O14764 3/20 0.37
▸ GABRA1 P14867 3/20 0.37
▸ GABRB1 P18505 3/20 0.37
▸ GABRG2 P18507 3/20 0.37
▸ GABRB3 P28472 3/20 0.37
▸ GABRA5 P31644 3/20 0.37
▸ GABRA3 P34903 3/20 0.37
▸ GABRA2 P47869 3/20 0.37
▸ GABRB2 P47870 3/20 0.37
▸ GABRA4 P48169 3/20 0.37
▸ GABRE P78334 3/20 0.37
▸ GABRA6 Q16445 3/20 0.37
▸ GABRG1 Q8N1C3 3/20 0.37
▸ GABRG3 Q99928 3/20 0.37
▸ GABRQ Q9UN88 3/20 0.37
▸ S1PR1 P21453 6/20 0.33
▸ S1PR3 Q99500 4/20 0.33
▸ FABP4 P15090 2/20 0.33
▸ FABP5 Q01469 2/20 0.33

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
SCHEMBL1338517 0.80 LIMK1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1336405 0.78 HPGD (0.37) FABP4FABP5LIMK1SPR
SCHEMBL1338070 0.78 FABP4 (0.35) FABP4FABP5LIMK1SPR
SCHEMBL1338563 0.77 FABP4 (0.36) FABP4FABP5LIMK1SPR
SCHEMBL13263726 0.74 LIMK1 (0.30) LIMK1
SCHEMBL10563879 0.71 S1PR1 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1338414 0.71 CES1 (0.37) FABP4FABP5SPR
SCHEMBL19141211 0.67 RAB7A (0.39) FABP4FABP5
SCHEMBL26967875 0.65 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL12143211 0.65 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102282144-A Oxadiazole derivatives as sphingosine-1-phosphate 1 receptor agonists — 2011-12-14 — — CN disclosed
EP-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 — — EP disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 — — US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 — — US disclosed
US-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2011-11-10 — — US disclosed
US-8041930-B2 Data processing apparatus and method for controlling thread access of register sets when selectively operating in secure and non-secure domains ARM LIMITED (GB) 2011-10-18 — — US disclosed
EP-2210890-A1 Oxadiazole derivatives as S1P1 receptor agonists Almirall, S.A. (ES) 2010-07-28 — — EP disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 — — WO disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 — — 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-20110274657-A1 OXADIAZOLE DERIVATIVES AS S1P1 RECEPTOR ANTAGONISTS S1PR1, S1PR3, S1PR2 GABRP 236/4885GABRD 983/4885GABRA1 430/4885

“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.

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