SCHEMBL3462495

SCHEMBL3462495

Cc1cc(C(N)=NO)ccc1C=CC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.47
ITGB1 P05556 2/20 0.47
ITGAV P06756 2/20 0.47
ITGA2B P08514 2/20 0.47
ITGB5 P18084 2/20 0.47
ESR1 P03372 2/20 0.44
CYP1A1 P04798 1/20 0.40
CYP1B1 Q16678 1/20 0.40
LMNA P02545 2/20 0.39
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MIF P14174 1/20 0.39
RECQL P46063 1/20 0.38
KDM1A O60341 4/20 0.37
EIF2AK2 P19525 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
CSNK2A1 P68400 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL3462490 1.00 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL3462488 1.00 ITGB3 (0.47) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL13262958 0.82 ESR1 (0.51) ESR1LMNAGFERKMT2AL3MBTL1
SCHEMBL1336505 0.80 ALDH1A1 (0.41) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL1336509 0.80 ALDH1A1 (0.41) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL1336506 0.80 ALDH1A1 (0.41) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL1741289 0.80 ALDH1A1 (0.41) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL1743139 0.80 ALDH1A1 (0.41) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL4316794 0.80 ESR1 (0.49) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL4316791 0.80 ESR1 (0.49) ITGB3ITGB1ITGAVITGA2BITGB5

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 2 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-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 ITGB3 154/4885ITGB1 165/4885ITGAV 300/4885

“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.