SCHEMBL851237

SCHEMBL851237

CCOC(=O)c1cc(OCc2ccc(C(N)C(=O)OC(C)(C)C)cc2)cc(Oc2ccc(C#N)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
MAOB P27338 6/20 0.39
SMPD1 P17405 1/20 0.38
FFAR1 O14842 1/20 0.37
NPC1 O15118 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GPR119 Q8TDV5 1/20 0.37
LTA4H P09960 1/20 0.37
ADAM17 P78536 1/20 0.37
TDP1 Q9NUW8 2/20 0.37
PTGER4 P35408 1/20 0.36
MAPT P10636 1/20 0.36
PARP15 Q460N3 1/20 0.35
PARP10 Q53GL7 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
PPARG P37231 1/20 0.35

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) RAB9AMAOBSMPD1FFAR1LTA4H
SCHEMBL851694 0.90 RAB9A (0.44) RAB9AMAOBSMPD1NPC1GPR119
SCHEMBL851619 0.86 RAB9A (0.58) RAB9AMAOBSMPD1FFAR1TDP1
SCHEMBL851236 0.83 HDAC1 (0.47) RAB9AMAOBSMPD1L3MBTL1GPR119
SCHEMBL851662 0.83 BTK (0.39) L3MBTL1TDP1MAPTPARP15PARP10
SCHEMBL851255 0.81 ST14 (0.51)
SCHEMBL852056 0.81 PARP15 (0.44) RAB9AFFAR1NPC1GPR119PTGER4
SCHEMBL851560 0.81 MRGPRX4 (0.43) RAB9AMAOBFFAR1LTA4H
SCHEMBL8510132 0.79 ALDH1A1 (0.47) GPR119
SCHEMBL851304 0.78 HDAC1 (0.42) RAB9ASMPD1FFAR1NPC1MAPT

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 RAB9A 1915/4885MAOB 187/4885SMPD1 189/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 RAB9A 1915/4885MAOB 187/4885SMPD1 189/4885

“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.