SCHEMBL1741289

SCHEMBL1741289

Cc1cc(/C(N)=N\O)cc(C)c1/C=C/C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ITGB3 P05106 4/20 0.36
ITGAV P06756 4/20 0.36
ITGA2B P08514 4/20 0.36
ITGB1 P05556 2/20 0.36
ITGB5 P18084 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 2/20 0.35
NPC1 O15118 1/20 0.35
RAF1 P04049 2/20 0.35
PKMYT1 Q99640 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL1336506 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ITGB3ITGAVITGA2B
SCHEMBL1336509 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ITGB3ITGAVITGA2B
SCHEMBL1336505 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ITGB3ITGAVITGA2B
SCHEMBL1743139 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2ITGB3ITGAVITGA2B
SCHEMBL12129706 0.83 TTR (0.38) ALDH1A1SMN1; SMN2L3MBTL1LMNAGFER
SCHEMBL2460666 0.81 CNKSR1 (0.44) L3MBTL1LMNAGFERKMT2AGAA
SCHEMBL2469697 0.81 CNKSR1 (0.44) L3MBTL1LMNAGFERKMT2AGAA
SCHEMBL2469698 0.81 CNKSR1 (0.44) L3MBTL1LMNAGFERKMT2AGAA
SCHEMBL2460667 0.81 CNKSR1 (0.44) L3MBTL1LMNAGFERKMT2AGAA
SCHEMBL3462495 0.80 ITGB3 (0.47) ALDH1A1SMN1; SMN2ITGB3ITGAVITGA2B

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
US-20110311485-A1 1,2,4-OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE ALMIRALL S.A. (ES) 2011-12-22 US disclosed
EP-2390252-A1 New pyrazole derivatives Almirall, S.A. (ES) 2011-11-30 EP disclosed
WO-2011144338-A1 PYRAZOLE DERIVATIVES AS S1P1 AGONISTS ALMIRALL, S.A. (ES) 2011-11-24 WO disclosed
EP-2387571-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS Almirall S.A. (ES) 2011-11-23 EP 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-2370431-A1 1, 2, 4 -OXADIAZOLE DERIVATIVES AND THEIR THERAPEUTIC USE Almirall S.A. (ES) 2011-10-05 EP disclosed
WO-2010081692-A1 OXADIAZOLE DERIVATIVES AS SLPL RECEPTOR AGONISTS ALMIRALL, S.A. (ES) 2010-07-22 WO 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

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 ALDH1A1 1042/4885SMN1; SMN2 1494/4885ITGB3 154/4885

“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.