SCHEMBL851558

SCHEMBL851558

CC(C)(C)OC(=O)NCc1cccc(COc2cc(Oc3ccc(C#N)cc3)cc(C(=O)O)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 1/20 0.44
MRGPRX4 Q96LA9 11/20 0.43
TP53 P04637 2/20 0.42
PKM P14618 2/20 0.42
NFKB1 P19838 2/20 0.42
NFKB2 Q00653 2/20 0.42
RELA Q04206 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
FFAR1 O14842 2/20 0.41
SMPD1 P17405 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAOB P27338 1/20 0.40
NR4A2 P43354 1/20 0.40

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
SCHEMBL851692 0.92 HDAC1 (0.50) MEN1KMT2AHDAC1RAB9ASMPD1
SCHEMBL851304 0.90 HDAC1 (0.42) HDAC1MRGPRX4TP53PKMNFKB1
SCHEMBL852057 0.88 PPARA (0.49) MEN1KMT2AHDAC1PKMRAB9A
SCHEMBL851656 0.86 ST14 (0.51) HDAC1
SCHEMBL3786265 0.85 ST14 (0.48) HDAC1SMPD1
SCHEMBL851597 0.81 PPARA (0.40) MEN1KMT2AHDAC1PKMSMN1; SMN2
SCHEMBL851730 0.81 FFAR1 (0.60) MEN1KMT2AMRGPRX4FFAR1FFAR4
SCHEMBL851236 0.81 HDAC1 (0.47) MEN1KMT2AHDAC1RAB9ASMPD1
SCHEMBL851986 0.81 CA12 (0.52)
SCHEMBL851560 0.80 MRGPRX4 (0.43) MEN1KMT2AMRGPRX4TP53PKM

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 3122/4885HDAC1 486/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MEN1 258/4885KMT2A 3122/4885HDAC1 486/4885

“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.