SCHEMBL2471785

SCHEMBL2471785

N/C(=N/O)c1ccc(N2CCC(C(=O)O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.49
AKR1C3 P42330 1/20 0.48
USP2 O75604 1/20 0.48
F10 P00742 3/20 0.43
ITGB3 P05106 3/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
ITGA2B P08514 3/20 0.43
PRSS3 P35030 3/20 0.43
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP2C19 P33261 1/20 0.42
SYK P43405 1/20 0.42
F2 P00734 1/20 0.41

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
SCHEMBL2471787 1.00 NOTUM (0.49) NOTUMAKR1C3USP2F10ITGB3
SCHEMBL27712656 0.84 NOTUM (0.54) NOTUMAKR1C3USP2F10ITGB3
SCHEMBL2462680 0.81 F2 (0.44) USP2PRSS1PRSS2PRSS3F2
SCHEMBL2462687 0.81 F2 (0.44) USP2PRSS1PRSS2PRSS3F2
SCHEMBL28789911 0.81 USP2 (0.70) NOTUMAKR1C3USP2MAPTKDM4E
SCHEMBL13094278 0.81 F2 (0.59) ITGB3PRSS1PRSS2ITGA2BPRSS3
SCHEMBL13343879 0.80 MAPT (0.60) F10ITGB3PRSS1PRSS2ITGA2B
SCHEMBL1438476 0.78 KMT2A (0.60) NOTUMAKR1C3USP2MAPT
SCHEMBL3570102 0.78 NOTUM (0.57) NOTUMAKR1C3USP2MAPTKDM4E
Hydrochloric Acid SCHEMBL3571310 0.76 NOTUM (0.56) NOTUMAKR1C3USP2MAPTKDM4E

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 4 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-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

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 NOTUM 4067/4885AKR1C3 2097/4885USP2 4242/4885

“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.