SCHEMBL2493379

SCHEMBL2493379

CC1(C)CCc2c(-c3nc(-c4ccc(C(=O)O)cc4)no3)nn(-c3ccccc3)c2C1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 3/20 0.40
RARA P10276 5/20 0.37
RARB P10826 5/20 0.37
RARG P13631 5/20 0.37
S1PR1 P21453 2/20 0.37
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
S1PR3 Q99500 1/20 0.35

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
SCHEMBL2470515 0.93 NPC1 (0.42) NR1H4S1PR1PTGS2PTGS1LMNA
SCHEMBL2473064 0.89 MAPT (0.40) RARARARBRARGS1PR1LMNA
SCHEMBL2472405 0.86 RARA (0.40) NR1H4RARARARBRARGS1PR1
SCHEMBL2474869 0.86 S1PR1 (0.38) NR1H4RARARARBRARGS1PR1
SCHEMBL2470741 0.84 S1PR1 (0.43) S1PR1S1PR3
SCHEMBL2476280 0.84 RARA (0.38) NR1H4RARARARBRARGS1PR1
SCHEMBL2474445 0.81 HDAC4 (0.37) NR1H4RARARARBRARGS1PR1
SCHEMBL13262817 0.79 LMNA (0.32) S1PR1PTGS2PTGS1LMNATSHR
SCHEMBL2470622 0.78 CYP2D6 (0.45) S1PR1S1PR3
SCHEMBL2474311 0.77 NPC1 (0.39) 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 7 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
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 NR1H4 158/4885RARA 3689/4885RARB 2538/4885

“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.