SCHEMBL3769645

SCHEMBL3769645

CC(C)(C)OC(=O)N1CC(=S)Nc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.63
NAMPT P43490 5/20 0.46
CRBN Q96SW2 3/20 0.46
DDB1 Q16531 2/20 0.46
NR1H2 P55055 2/20 0.43
ESR2 Q92731 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
HK1 P19367 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
HDAC1 Q13547 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
SCHEMBL3425970 0.85 MAPK1 (0.64) MAPK1NAMPTCRBNDDB1NR1H2
SCHEMBL2359726 0.83 ESR2 (0.44) MAPK1CRBNDDB1NR1H2ESR2
SCHEMBL2362061 0.83 MAPK1 (0.44) MAPK1NAMPTCRBNDDB1NR1H2
SCHEMBL3430204 0.83 MAPK1 (0.46) MAPK1CRBNDDB1NR1H2ESR2
SCHEMBL5183098 0.81 MAPK1 (0.64) MAPK1NAMPTCRBNDDB1NR1H2
SCHEMBL29676965 0.81 MAPK1 (0.64) MAPK1NAMPTCRBNDDB1NR1H2
SCHEMBL3430669 0.79 MAPT (0.49) MAPK1KDM4EMEN1NPC1HSP90AA1
SCHEMBL537566 0.77 MAPK1 (1.00) MAPK1NAMPTCRBNDDB1NR1H2
SCHEMBL22716676 0.75 MAPK1 (0.55) MAPK1NAMPTCRBNDDB1BRD4
SCHEMBL22605546 0.74 GPR119 (0.46) MAPK1NAMPTKDM4EMEN1MAPT

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
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 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 (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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 MAPK1 2715/4885NAMPT 425/4885CRBN 4833/4885

“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.