SCHEMBL3462583

SCHEMBL3462583

N/C(=N\O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.50
▸ CAMK2A Q9UQM7 1/20 0.50
▸ AKR1B1 P15121 1/20 0.48
▸ PRSS1 P07477 2/20 0.48
▸ TMPRSS2 O15393 1/20 0.48
▸ KLK1 P06870 1/20 0.48
▸ ITGB3 P05106 1/20 0.47
▸ ITGA2B P08514 1/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HDAC1 Q13547 3/20 0.46
▸ HDAC2 Q92769 3/20 0.46
▸ SRD5A2 P31213 2/20 0.45
▸ F2 P00734 1/20 0.44
▸ PLG P00747 1/20 0.44
▸ PRSS2 P07478 1/20 0.44

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
SCHEMBL21223499 1.00 CA2 (0.50) CA2CAMK2AAKR1B1PRSS1TMPRSS2
SCHEMBL3462585 1.00 CA2 (0.50) CA2CAMK2AAKR1B1PRSS1TMPRSS2
SCHEMBL22647077 0.83 CA2 (0.48) CA2CAMK2AAKR1B1PRSS1TMPRSS2
SCHEMBL1338487 0.81 FFAR1 (0.53) CA2ITGB3ITGA2BHTTHDAC1
SCHEMBL1338484 0.81 FFAR1 (0.53) CA2ITGB3ITGA2BHTTHDAC1
SCHEMBL20645658 0.80 RAB9A (0.44) LMNAGAAHDAC1HDAC2NPC1
SCHEMBL20640865 0.80 RAB9A (0.44) LMNAGAAHDAC1HDAC2NPC1
SCHEMBL20640863 0.80 RAB9A (0.44) LMNAGAAHDAC1HDAC2NPC1
SCHEMBL4022608 0.79 PLA2G10 (0.61) CA2CAMK2AAKR1B1PRSS1TMPRSS2
SCHEMBL1338492 0.79 HSD17B10 (0.60) ITGB3ITGA2BLMNATSHRHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019150219-A2 NOVEL OXADIAZOLES PI INDUSTRIES LTD. (IN) 2019-08-08 — — WO disclosed
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 CA2 3656/4885CAMK2A 1328/4885AKR1B1 1461/4885

“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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