SCHEMBL2318969

SCHEMBL2318969

OB(O)c1ccsc1-c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
MAPT P10636 5/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
GAA P10253 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 4/20 0.36
TDP1 Q9NUW8 1/20 0.36
DPP4 P27487 1/20 0.34
RPS6KB2 Q9UBS0 1/20 0.34
ERN1 O75460 2/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP2E1 P05181 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
SCHEMBL14844555 0.77 CA12 (0.30) DPP4
Boric Acid SCHEMBL1568788 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL30548941 0.76 MAPT (0.38) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL28354059 0.73 CA1 (0.35) MAPTKMT2AERN1NPC1RAB9A
SCHEMBL518880 0.73 KMT2A (0.41) ALDH1A1KDM4EMAPTMEN1KMT2A
Methyl Alcohol SCHEMBL6013731 0.73 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL5960028 0.73 RAB9A (0.33) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL723960 0.72 CYP2A6 (0.44) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4707469 0.72 LTA4H (0.47) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8826771 0.72 MEN1 (0.37) ALDH1A1KDM4EMAPTMEN1KMT2A

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-1928840-B1 1H-Pyrazole-4-carboxamides, their preparation and their use as 11-beta-hydroxysteroid dehydrogenase inhibitors HOFFMANN LA ROCHE (CH) 2011-08-10 EP disclosed
US-7345058-B2 (1-Methyl-5-phenyl-1H-pyrazol-4-yl)-(trans-octahydro-isoquinolin-2-yl)methanone; 11 beta -hydroxysteroid dehydrogenase inhibitor; upregulation of phosphoenolpyruvate carboxykinase (PEPCK) and glucose-6-phosphatase (G6Pase); antidiabetic agent; type II diabetes mellitus and metabolic syndrome HOFFMANN-LA ROCHE INC. (US) 2008-03-18 US disclosed
US-20060223852-A1 Pyrazoles GILLESPIE PAUL 2006-10-05 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-20060223852-A1 Pyrazoles GPR119, PDK2, PC ALDH1A1 333/4885KDM4E 4119/4885MAPT 3416/4885

“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.