SCHEMBL1858397

SCHEMBL1858397

CSc1cccc([C@@H](CC2CCCC2)C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 3/20 0.40
FFAR4 Q5NUL3 1/20 0.39
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
CPN1 P15169 1/20 0.37
CPB2 Q96IY4 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL1858400 1.00 SLC6A9 (0.42) SLC6A9KMT2AMEN1MAPTCYP1A2
SCHEMBL2650458 0.89 SLC6A9 (0.40) SLC6A9KMT2AMEN1MAPTPOLB
SCHEMBL2646161 0.83 AKR1C3 (0.40) KMT2AMEN1CTSKAKR1C3AKR1C2
SCHEMBL1107404 0.83 AKR1C3 (0.40) KMT2AMEN1CTSKAKR1C3AKR1C2
SCHEMBL1863943 0.80 GAA (0.45) SLC6A9KMT2AMEN1GAA
SCHEMBL1863940 0.80 GAA (0.45) SLC6A9KMT2AMEN1GAA
SCHEMBL1863945 0.80 GAA (0.45) SLC6A9KMT2AMEN1GAA
SCHEMBL1418768 0.80 CYP2C19 (0.47) CYP3A4POLB
SCHEMBL1418773 0.80 CYP2C19 (0.47) CYP3A4POLB
SCHEMBL4247911 0.80 OPRL1 (0.44) KMT2AMEN1CPN1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
EP-2046755-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. Hoffmann-Roche AG (CH) 2009-04-15 EP disclosed
WO-2008012227-A2 PYRAZOLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2008-01-31 WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 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 (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-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 SLC6A9 2706/4885KMT2A 4296/4885MEN1 4026/4885

“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.