SCHEMBL3373567

SCHEMBL3373567

CCc1ccc(C(=O)OC)cc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.67
CA1 P00915 4/20 0.67
CA2 P00918 4/20 0.67
CA7 P43166 4/20 0.67
CA9 Q16790 4/20 0.67
CA14 Q9ULX7 4/20 0.67
XDH P47989 2/20 0.67
KDM4E B2RXH2 4/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
POLB P06746 1/20 0.55
NFKB1 P19838 1/20 0.55
GFER P55789 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
FUT7 Q11130 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 5/20 0.54
ALDH1A1 P00352 4/20 0.54

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
SCHEMBL7893012 0.87 CA12 (0.65) CA12CA1CA2CA7CA9
SCHEMBL4003913 0.87 CA1 (0.56) CA12CA1CA2CA7CA9
SCHEMBL8230251 0.85 CA1 (0.67) CA12CA1CA2CA7CA9
SCHEMBL27279304 0.85 CA1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL4123831 0.84 DPP4 (0.51) CA12CA1CA2CA7CA9
SCHEMBL18309196 0.84 CA1 (0.74) CA12CA1CA2CA7CA9
SCHEMBL4404364 0.83 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL15657532 0.83 CA1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL21743357 0.82 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL4235293 0.82 CA1 (0.57) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101146530-B 3, 4-substituted pyrrolidine derivatives for the treatment of hypertension NOVARTIS AG 2011-05-18 CN disclosed
EP-1863477-B1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2010-11-03 EP disclosed
US-7807709-B2 Organic compounds NOVARTIS AG (CH) 2010-10-05 US disclosed
EP-1506214-B1 6-11 BICYCLIC KETOLIDE DERIVATIVES ENANTA PHARM INC (US) 2010-01-20 EP disclosed
US-20080194549-A1 Organic Compounds NOVARTIS AG (CH) 2008-08-14 US disclosed
CN-101146530-A 3, 4-substituted pyrrolidine derivatives for the treatment of hypertension NOVARTIS AG (CH) 2008-03-19 CN disclosed
EP-1863477-A1 3,4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION Novartis AG (CH) 2007-12-12 EP disclosed
WO-2006100036-A1 3, 4-SUBSTITUTED PYRROLIDINE DERIVATIVES FOR THE TREATMENT OF HYPERTENSION NOVARTIS AG (CH) 2006-09-28 WO disclosed
WO-1995004046-A1 COMPOUNDS AS PDE IV AND TNF INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-02-09 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-20080194549-A1 Organic Compounds REN, ACE, OTC CA12 1565/4885CA1 1328/4885CA2 537/4885

“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.