SCHEMBL3713253

SCHEMBL3713253

NC(CCCC(=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.51
PRSS2 P07478 1/20 0.51
PRSS3 P35030 1/20 0.51
SCN4A P35499 2/20 0.45
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
ALDH1A1 P00352 4/20 0.43
KMT2A Q03164 8/20 0.41
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP19A1 P11511 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
TRAP1 Q12931 1/20 0.39
HSD17B10 Q99714 3/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2987920 0.85 PRSS1 (0.51) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL16728552 0.83 CA12 (0.46) ALDH1A1KMT2AKDM4EHSD17B10LMNA
SCHEMBL27490729 0.81 ALDH1A1 (0.49) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL27314977 0.80 PRSS1 (0.53) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL9048057 0.80 SCN4A (0.50) PRSS1PRSS2PRSS3SCN4AALDH1A1
SCHEMBL10356118 0.80 LTA4H (0.49) ALDH1A1MAPTSMN1; SMN2
SCHEMBL671557 0.80 LTA4H (0.49) ALDH1A1MAPTSMN1; SMN2
SCHEMBL27477537 0.80 LTA4H (0.49) ALDH1A1MAPTSMN1; SMN2
SCHEMBL43233 0.79 PRSS1 (0.67) PRSS1PRSS2PRSS3EGFRERBB2
SCHEMBL44568 0.79 PRSS1 (0.62) PRSS1PRSS2PRSS3EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8673974-B2 Substituted amino bisphenyl pentanoic acid derivatives as NEP inhibitors NOVARTIS AG (CH) 2014-03-18 US disclosed
EP-2640690-A1 SUBSTITUTED AMINO BISPHENYL PENTANOIC ACID DERIVATIVES AS NEP INHIBITORS Novartis AG (CH) 2013-09-25 EP disclosed
CN-103201257-A Substituted amino bisphenyl pentanoic acid derivatives as nep inhibitors NOVARTIS AG 2013-07-10 CN disclosed
WO-2012065956-A1 SUBSTITUTED AMINO BISPHENYL PENTANOIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2012-05-24 WO disclosed
US-20120122977-A1 Substituted amino bisphenyl pentanoic acid derivatives as NEP inhibitors NOVARTIS AG (CH) 2012-05-17 US 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-20120122977-A1 Substituted amino bisphenyl pentanoic acid derivatives as NEP inhibitors REN, MME, AGTR1 PRSS1 47/4885PRSS2 418/4885PRSS3 216/4885

“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.