SCHEMBL287153

SCHEMBL287153

COC1=CCC(C(=O)NNS(C)(=O)=O)=CN1CC(=O)c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
GAA P10253 3/20 0.41
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
ELANE P08246 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTR1A P08908 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL661266 0.87 ALDH1A1 (0.38) ALDH1A1GAAKMT2AHPGDSMN1; SMN2
SCHEMBL660215 0.86 GAA (0.39) ALDH1A1GAAGRIN1GRIN2BKMT2A
SCHEMBL659786 0.83 ALDH1A1 (0.38) ALDH1A1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL287773 0.78 ALDH1A1 (0.39) ALDH1A1GAAKMT2AHPGDSMN1; SMN2
SCHEMBL287270 0.75 ALDH1A1 (0.47) ALDH1A1GAAKMT2ASMN1; SMN2LMNA
SCHEMBL7807379 0.74 ALDH1A1 (0.41) ALDH1A1CTNNB1WNT3AKMT2AHPGD
SCHEMBL297598 0.74 ALDH1A1 (0.40) ALDH1A1GAAKMT2AHPGDSMN1; SMN2
SCHEMBL287330 0.74 HTT (0.45) ALDH1A1GAAKMT2ALMNA
SCHEMBL287198 0.74 ALDH1A1 (0.39) ALDH1A1GAACTNNB1WNT3AKMT2A
SCHEMBL661218 0.73 ALDH1A1 (0.46) ALDH1A1GAAGRIN1GRIN2BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885GAA 194/4885GRIN1 4183/4885

“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.