SCHEMBL683643

SCHEMBL683643

O=C(O)C1CSC(c2cccs2)N1C(=O)CCS

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 5/20 0.64
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ FFAR2 O15552 1/20 0.36
▸ BRD4 O60885 1/20 0.36

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
SCHEMBL11179426 1.00 ACE (0.64) ACEHSD17B10POLBGAARAB9A
SCHEMBL11219632 0.87 ACE (0.48) ACEHSD17B10POLBGAARAB9A
SCHEMBL10944233 0.86 ACE (0.47) ACEHSD17B10POLBGAARAB9A
SCHEMBL683641 0.82 ACE (0.73) ACEHSD17B10POLBGAARAB9A
SCHEMBL11067695 0.82 KMT2A (0.53) ACEHSD17B10POLBLMNAALDH1A1
SCHEMBL11067697 0.79 ACE (0.43) ACEHSD17B10POLBLMNAALDH1A1
Rentiapril SCHEMBL294980 0.78 ACE (1.00) ACEHSD17B10POLBLMNAALDH1A1
Rentiapril SCHEMBL30422754 0.78 ACE (1.00) ACEHSD17B10POLBLMNAALDH1A1
Rentiapril SCHEMBL323403 0.78 ACE (1.00) ACEHSD17B10POLBLMNAALDH1A1
Rentiapril SCHEMBL11065900 0.78 ACE (1.00) ACEHSD17B10POLBLMNAALDH1A1

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 3 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-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 4514/4885HSD17B10 3423/4885POLB 1250/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF ACE 6/4885HSD17B10 2865/4885POLB 1723/4885

“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.

Send feedback