SCHEMBL321579

SCHEMBL321579

COC(=O)c1cccc(O[C@H](C)C(=O)OCc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 2/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
SLC7A5 Q01650 1/20 0.49
MAOB P27338 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 2/20 0.48
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
NR4A2 P43354 1/20 0.48
KMT2A Q03164 2/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMPD1 P17405 1/20 0.47

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
SCHEMBL16673428 0.83 LMNA (0.68) LMNAL3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL29179301 0.81 KMT2A (0.61) LMNARAB9AMAOBALDH1A1KDM4E
SCHEMBL30412034 0.81 MAOB (0.73) LMNAMRGPRX4MAOBHPGDNR4A2
SCHEMBL976424 0.81 MAOB (0.73) LMNAMRGPRX4MAOBHPGDNR4A2
SCHEMBL321520 0.81 TSHR (0.52) L3MBTL1RAB9ASLC7A5LOXL2ALDH1A1
SCHEMBL27337757 0.81 KMT2A (0.69) LMNARAB9ASLC7A5LOXL2ALDH1A1
SCHEMBL320845 0.81 TSHR (0.52) L3MBTL1RAB9ASLC7A5LOXL2ALDH1A1
SCHEMBL6285409 0.80 KMT2A (0.59) LMNARAB9AMAOBALDH1A1KDM4E
SCHEMBL1122805 0.79 MRGPRX4 (0.71) LMNAMRGPRX4MAOBHPGDNR4A2
SCHEMBL1421428 0.78 KMT2A (0.65) LMNARAB9AMRGPRX4MAOBALDH1A1

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 LMNA 1484/4885L3MBTL1 4022/4885RAB9A 106/4885

“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.