SCHEMBL7613619

SCHEMBL7613619

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.64
ENPEP Q07075 2/20 0.64
PTGS1 P23219 3/20 0.50
PTGS2 P35354 3/20 0.50
MAPT P10636 2/20 0.50
CXCR1 P25024 2/20 0.50
CXCR2 P25025 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
RECQL P46063 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPK1 P28482 1/20 0.50
PMP22 Q01453 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
CXCL8 P10145 1/20 0.50
THPO P40225 1/20 0.50

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
SCHEMBL7613565 1.00 ANPEP (0.64) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL505969 1.00 ANPEP (0.64) ANPEPENPEPPTGS1PTGS2MAPT
Hydrochloric Acid SCHEMBL506171 0.98 ANPEP (0.62) ANPEPENPEPPTGS1PTGS2MAPT
Hydrochloric Acid SCHEMBL10277608 0.98 ANPEP (0.62) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL14921206 0.85 MAPT (0.70) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL13653043 0.85 MAPT (0.70) PTGS1PTGS2MAPTCXCR1CXCR2
SCHEMBL12052133 0.85 PARP1 (0.55) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL8255364 0.85 PARP1 (0.55) ANPEPENPEPPTGS1PTGS2MAPT
SCHEMBL8249965 0.85 PARP1 (0.55) ANPEPENPEPPTGS1PTGS2MAPT
Methyl Alcohol SCHEMBL27864998 0.85 ANPEP (0.64) ANPEPENPEPPTGS1PTGS2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020183249-A1 Method of identifying inhibitors of CDC25 TAYLOR NEIL R (AU) 2002-12-05 US claimed
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-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
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-8076330-B2 Dipeptidyl peptidase-IV inhibitors AMGEN INC. (US) 2011-12-13 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2011-05-12 US disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
WO-2006116157-A9 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS INC (US) 2007-03-01 WO disclosed
WO-2006116157-A2 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2006-11-02 WO disclosed
US-20020183249-A1 Method of identifying inhibitors of CDC25 TAYLOR NEIL R (AU) 2002-12-05 US 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 (4 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-20020183249-A1 Method of identifying inhibitors of CDC25 CDC25C, CDC25A, CDC25B ANPEP 521/4885ENPEP 553/4885PTGS1 3777/4885
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 ANPEP 27/4885ENPEP 25/4885PTGS1 1176/4885
US-20120178752-A1 RHO KINASE INHIBITORS ROCK1, ROCK2, RHOA ANPEP 4423/4885ENPEP 3934/4885PTGS1 407/4885
US-20110112051-A1 Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP7 ANPEP 27/4885ENPEP 25/4885PTGS1 1176/4885

“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.