SCHEMBL320557

SCHEMBL320557

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

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.48
GABRB1 P18505 1/20 0.46
GABRB2 P47870 1/20 0.46
CTSS P25774 1/20 0.45
ALDH1A1 P00352 2/20 0.44
ANPEP P15144 1/20 0.42
ENPEP Q07075 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
PTGS1 P23219 1/20 0.42
PTGS2 P35354 1/20 0.42
PPARG P37231 3/20 0.41
PPARA Q07869 3/20 0.41
PPARD Q03181 2/20 0.41
GPR139 Q6DWJ6 2/20 0.41
KDM4E B2RXH2 1/20 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
SCHEMBL505937 1.00 CTSK (0.48) CTSKGABRB1GABRB2CTSSALDH1A1
SCHEMBL15609314 0.88 CTSK (0.45) CTSKGABRB1GABRB2CTSSPTGS1
SCHEMBL3473488 0.88 CTSK (0.45) CTSKGABRB1GABRB2CTSSPTGS1
SCHEMBL7677926 0.86 CES2 (0.48) CTSKGABRB1GABRB2CTSSALDH1A1
SCHEMBL16763339 0.85 GABRB1 (0.47) CTSKGABRB1GABRB2CTSSALDH1A1
SCHEMBL16763340 0.85 GABRB1 (0.47) CTSKGABRB1GABRB2CTSSALDH1A1
SCHEMBL6346030 0.84 CTSK (0.62) CTSKGABRB1GABRB2CTSSALDH1A1
SCHEMBL12203593 0.84 CTSK (0.62) CTSKGABRB1GABRB2CTSSALDH1A1
SCHEMBL6346032 0.84 CTSK (0.62) CTSKGABRB1GABRB2CTSSALDH1A1
SCHEMBL10173420 0.83 CTSK (0.42) CTSKGABRB1GABRB2CTSSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118139864-A New compounds 西特瑞治疗有限公司 2024-06-04 CN disclosed
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 CTSK 1048/4885GABRB1 4572/4885GABRB2 4714/4885

“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.