SCHEMBL851694

SCHEMBL851694

CC(C)(C)OC(=O)C(N)c1ccc(COc2cc(Oc3ccc(C#N)cc3)cc(C(=O)O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
RXRA P19793 3/20 0.43
RXRB P28702 3/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAOB P27338 3/20 0.41
NR4A2 P43354 2/20 0.41
LTA4H P09960 1/20 0.40
ALKBH1 Q13686 1/20 0.40
PTGER4 P35408 1/20 0.40
SMPD1 P17405 1/20 0.39
PPARG P37231 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADAM17 P78536 1/20 0.38

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
SCHEMBL852056 0.91 PARP15 (0.44) RAB9AMEN1KMT2APTGER4GPR119
SCHEMBL851237 0.90 RAB9A (0.44) RAB9AMAOBLTA4HPTGER4SMPD1
SCHEMBL851560 0.90 MRGPRX4 (0.43) RAB9AMEN1KMT2AMAOBNR4A2
SCHEMBL851255 0.84 ST14 (0.51)
SCHEMBL851678 0.83 MEN1 (0.60) RAB9ARXRARXRBMEN1KMT2A
SCHEMBL851029 0.81 MEN1 (0.45) MEN1KMT2AMAOBNR4A2LTA4H
SCHEMBL851692 0.81 HDAC1 (0.50) RAB9ARXRARXRBMEN1KMT2A
SCHEMBL851305 0.81 FFAR1 (0.41) RAB9AMAOBLTA4HSMPD1MRGPRX4
SCHEMBL851693 0.79 MRGPRX4 (0.46) RAB9ANR4A2NR4A1NR4A3MRGPRX4
SCHEMBL5733009 0.77 GSK3B (0.40) GPR119

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 RAB9A 1915/4885RXRA 4509/4885RXRB 4110/4885

“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.