SCHEMBL4137978

SCHEMBL4137978

O=C(NCC1CCCO1)c1[nH]c2ncc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)cc2c1-c1ccsc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
HSD17B10 Q99714 3/20 0.43
POLB P06746 4/20 0.42
NPC1 O15118 4/20 0.42
MAPT P10636 3/20 0.42
USP2 O75604 2/20 0.42
LMNA P02545 2/20 0.42
RCE1 Q9Y256 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.38

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
SCHEMBL4143619 0.89 ALDH1A1 (0.44) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4147144 0.89 GAA (0.49) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4133869 0.83 CNR1 (0.41) MAPTL3MBTL1
SCHEMBL4133870 0.83 CNR1 (0.41) MAPTL3MBTL1
SCHEMBL4077968 0.82 SERPINE1 (0.45) MAPT
SCHEMBL4133123 0.79 GAA (0.51) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13906320 0.79 GAA (0.51) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13872841 0.79 GAA (0.51) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4142596 0.77 GAA (0.48) GAAALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4077970 0.76 SERPINE1 (0.42) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 US claimed
US-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE BAYER SCHERING PHARMA AG (DE) 2009-04-16 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-20090098189-A1 AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE ADCY1, ADCY5, ADCY2 GAA 1164/4885ALDH1A1 327/4885KDM4E 2032/4885

“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.