SCHEMBL321516

SCHEMBL321516

N[C@H](CC(=O)O)c1cccc(C(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 3/20 0.73
ENPEP Q07075 2/20 0.73
KMT2A Q03164 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
FOLH1 Q04609 2/20 0.50
GRM4 Q14833 1/20 0.48
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA12 O43570 1/20 0.44
CA6 P23280 1/20 0.44
F10 P00742 1/20 0.44
APEX1 P27695 1/20 0.44
MEP1B Q16820 2/20 0.43
GABBR2 O75899 1/20 0.43
GABBR1 Q9UBS5 1/20 0.43

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
Dimethylformamide SCHEMBL320708 0.89 ANPEP (0.58) ANPEPENPEPKMT2ASMN1; SMN2FOLH1
SCHEMBL26547500 0.84 ANPEP (0.75) ANPEPENPEPFOLH1GRM4CA1
SCHEMBL7616448 0.83 ANPEP (0.73) ANPEPENPEPKMT2ASMN1; SMN2FOLH1
SCHEMBL7573702 0.83 ANPEP (0.73) ANPEPENPEPKMT2ASMN1; SMN2FOLH1
SCHEMBL7612693 0.83 ANPEP (0.73) ANPEPENPEPKMT2ASMN1; SMN2FOLH1
SCHEMBL8651898 0.82 ANPEP (0.57) ANPEPENPEPFOLH1GRM4CA1
SCHEMBL22690103 0.81 ANPEP (0.71) ANPEPENPEPFOLH1GRM4CA1
SCHEMBL22691505 0.81 ANPEP (0.71) ANPEPENPEPFOLH1GRM4CA1
SCHEMBL3864639 0.81 KMT2A (0.60) ANPEPENPEPKMT2ASMN1; SMN2CA1
SCHEMBL20545926 0.81 SMN1; SMN2 (0.56) ANPEPENPEPKMT2ASMN1; SMN2CA1

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 8 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
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
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 ANPEP 4423/4885ENPEP 3934/4885KMT2A 3281/4885

“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.