SCHEMBL851377

SCHEMBL851377

N#Cc1cccc(COc2cc(OCc3cccc(C#N)c3)cc(C(=O)O)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.68
KMT2A Q03164 1/20 0.68
FFAR1 O14842 2/20 0.66
FFAR4 Q5NUL3 1/20 0.66
ALKBH1 Q13686 1/20 0.63
MRGPRX4 Q96LA9 10/20 0.58
NR4A2 P43354 2/20 0.56
MAOB P27338 1/20 0.55
TP53 P04637 2/20 0.55
PKM P14618 2/20 0.55
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
RXRA P19793 1/20 0.55
RXRB P28702 1/20 0.55
RXRG P48443 1/20 0.55
RAB9A P51151 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55

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
SCHEMBL851730 0.91 FFAR1 (0.60) MEN1KMT2AFFAR1FFAR4ALKBH1
SCHEMBL25203039 0.90 NR4A2 (0.71) FFAR1FFAR4ALKBH1MRGPRX4NR4A2
SCHEMBL30391969 0.90 NR4A2 (0.71) FFAR1FFAR4ALKBH1MRGPRX4NR4A2
SCHEMBL4684657 0.86 NR4A2 (0.69) MRGPRX4NR4A2TP53PKMNFKB1
SCHEMBL4266677 0.84 FFAR1 (0.54) MEN1KMT2AFFAR1FFAR4ALKBH1
SCHEMBL852236 0.84 MEN1 (0.69) MEN1KMT2AALKBH1MRGPRX4NR4A2
SCHEMBL28587004 0.83 ALKBH1 (0.64) FFAR1FFAR4ALKBH1MRGPRX4NR4A2
SCHEMBL1248693 0.83 MAOB (0.66) FFAR1FFAR4ALKBH1MRGPRX4MAOB
SCHEMBL4684138 0.83 MRGPRX4 (0.70) MRGPRX4NR4A2TP53PKMNFKB1
SCHEMBL1426961 0.81 MEN1 (1.00) MEN1KMT2AMRGPRX4NR4A2MAOB

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-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO 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 (2 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MEN1 258/4885KMT2A 3122/4885FFAR1 3640/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MEN1 258/4885KMT2A 3122/4885FFAR1 3640/4885

“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.