SCHEMBL322014

SCHEMBL322014

COC(=O)c1cccc(O[C@@H](C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
POLB P06746 2/20 0.41

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
SCHEMBL321520 0.81 TSHR (0.52) SMN1; SMN2TP53L3MBTL1RAB9AMEN1
SCHEMBL7944868 0.81 SMN1; SMN2 (0.51) SMN1; SMN2TP53L3MBTL1RAB9AMEN1
SCHEMBL320845 0.81 TSHR (0.52) SMN1; SMN2TP53L3MBTL1RAB9AMEN1
SCHEMBL29214272 0.79 PTGS1 (0.56) SMN1; SMN2RAB9AALDH1A1HPGDMAPK1
SCHEMBL6174966 0.79 SMN1; SMN2 (0.59) SMN1; SMN2TP53L3MBTL1RAB9AMEN1
SCHEMBL16713301 0.79 CYP1A2 (0.50) L3MBTL1MEN1KMT2AALDH1A1PKM
SCHEMBL13270866 0.78 MAPT (0.54) SMN1; SMN2RAB9AMEN1KMT2ANPC1
SCHEMBL25720425 0.78 ESR1 (0.52) SMN1; SMN2TP53L3MBTL1RAB9AMEN1
SCHEMBL30625924 0.78 KMT2A (0.52) SMN1; SMN2L3MBTL1RAB9AMEN1KMT2A
SCHEMBL321579 0.77 LMNA (0.51) SMN1; SMN2L3MBTL1RAB9AMEN1KMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
EP-2590942-B1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2016-05-04 EP disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
US-9079880-B2 Rho kinase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-14 US disclosed
EP-2590942-A1 RHO KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2013-05-15 EP disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
US-20120178752-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-07-12 US disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed
WO-2012006202-A1 RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 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-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA SMN1; SMN2 1380/4885TP53 2572/4885L3MBTL1 4022/4885

“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.