SCHEMBL851560

SCHEMBL851560

CC(C)(C)OC(=O)C(N)c1cccc(COc2cc(Oc3ccc(C#N)cc3)cc(C(=O)O)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 11/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FFAR1 O14842 3/20 0.41
TP53 P04637 2/20 0.41
PKM P14618 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
RAB9A P51151 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LTA4H P09960 1/20 0.41
FFAR4 Q5NUL3 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MAOB P27338 1/20 0.39
NR4A2 P43354 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
SCHEMBL851305 0.91 FFAR1 (0.41) MRGPRX4FFAR1TP53PKMNFKB1
SCHEMBL851694 0.90 RAB9A (0.44) MRGPRX4MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL3786263 0.85 ST14 (0.48) LTA4H
SCHEMBL852056 0.85 PARP15 (0.44) MEN1KMT2AFFAR1PKMRAB9A
SCHEMBL852033 0.84 ST14 (0.49)
SCHEMBL851559 0.81 MRGPRX4 (0.49) MRGPRX4TP53PKMNFKB1NFKB2
SCHEMBL851237 0.81 RAB9A (0.44) FFAR1RAB9ALTA4HMAOB
SCHEMBL851558 0.80 MEN1 (0.44) MRGPRX4MEN1KMT2AFFAR1TP53
SCHEMBL851730 0.80 FFAR1 (0.60) MRGPRX4MEN1KMT2AFFAR1FFAR4
SCHEMBL851029 0.77 MEN1 (0.45) MRGPRX4MEN1KMT2ALTA4HCYP11B1

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-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 (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-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 MRGPRX4 363/4885MEN1 258/4885KMT2A 3122/4885

“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.