SCHEMBL683282

SCHEMBL683282

COc1ccc(C2SCC(C(=O)O)N2C(=O)CCS)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.70
▸ POLB P06746 2/20 0.70
▸ RAB9A P51151 1/20 0.70
▸ ACE P12821 3/20 0.58
▸ TSHR P16473 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.57
▸ ALDH1A1 P00352 2/20 0.52
▸ FFAR2 O15552 3/20 0.46
▸ HTT P42858 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41

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
SCHEMBL11183345 0.87 GAA (0.69) GAAPOLBRAB9AACETSHR
SCHEMBL10943458 0.86 GAA (0.67) GAAPOLBRAB9AACETSHR
SCHEMBL683637 0.85 ACE (0.67) GAAPOLBRAB9AACETSHR
SCHEMBL11062771 0.85 ACE (0.67) GAAPOLBRAB9AACETSHR
SCHEMBL683641 0.85 ACE (0.73) GAAPOLBRAB9AACEALDH1A1
SCHEMBL11190530 0.84 ACE (0.62) GAAPOLBRAB9AACETSHR
SCHEMBL11189799 0.84 ACE (0.68) GAAPOLBRAB9AACETSHR
SCHEMBL11211523 0.82 GAA (0.67) GAAPOLBRAB9AACETSHR
SCHEMBL683176 0.81 ACE (0.58) GAAPOLBRAB9AACETSHR
SCHEMBL11062272 0.80 ACE (0.66) GAAPOLBRAB9AACETSHR

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 GAA 1655/4885POLB 1250/4885RAB9A 1659/4885
US-20110269717-A1 NEUROGENESIS BY MODULATING ANGIOTENSIN NGF, DCX, BDNF GAA 1899/4885POLB 1723/4885RAB9A 2603/4885

“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