SCHEMBL683644

SCHEMBL683644

CC(CCS)C(=O)N1C(C(=O)O)CSC1c1ccccc1O

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.67
LMNA P02545 1/20 0.43
FFAR2 O15552 9/20 0.42
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL683556 0.91 ACE (0.67) ACELMNA
SCHEMBL11065988 0.91 ACE (0.67) ACELMNA
SCHEMBL10940835 0.87 ACE (0.60) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11194036 0.86 ACE (0.59) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10940950 0.83 ACE (0.56) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL10968292 0.83 ACE (0.64) ACELMNAFFAR2ALDH1A1POLB
SCHEMBL11062257 0.82 ACE (0.55) ACELMNAFFAR2HTT
Rentiapril SCHEMBL323403 0.81 ACE (1.00) ACELMNAFFAR2ALDH1A1POLB
Rentiapril SCHEMBL30422754 0.81 ACE (1.00) ACELMNAFFAR2ALDH1A1POLB
Rentiapril SCHEMBL294980 0.81 ACE (1.00) ACELMNAFFAR2ALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN BRAINCELLS INC. (US) 2011-11-03 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 US disclosed
US-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS BRAINCELLS INC. (US) 2011-02-24 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 (2 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-20110046090-A1 MODULATION OF NEUROGENESIS WITH GABA AGENTS AND GABA ANALOGS GAP43, GABRB1, GABRB3 ACE 4514/4885LMNA 3688/4885FFAR2 1345/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885LMNA 2155/4885FFAR2 2651/4885

“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.