SCHEMBL1860916

SCHEMBL1860916

Cc1cc([C@@H](CC2CCCO2)C(=O)O)ccc1S(C)(=O)=O

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.45
HTT P42858 1/20 0.45
PKM P14618 2/20 0.40
THRB P10828 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 4/20 0.38
OXTR P30559 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE2A O00408 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 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
SCHEMBL1860914 1.00 TSHR (0.45) TSHRHTTPKMTHRBRAB9A
SCHEMBL1863880 0.89 KCNH2 (0.46) TSHRHTTSMN1; SMN2PDE2AALDH1A1
SCHEMBL1860317 0.88 THRB (0.43) TSHRHTTPKMTHRBRAB9A
SCHEMBL1860318 0.88 THRB (0.43) TSHRHTTPKMTHRBRAB9A
SCHEMBL2894008 0.83 KMT2A (0.42) PKMRAB9AHPGDCYP3A4CYP2D6
SCHEMBL1868719 0.83 KCNH2 (0.46) ALDH1A1
SCHEMBL1861377 0.83 KCNH2 (0.48) ALDH1A1
SCHEMBL1861379 0.83 KCNH2 (0.48) ALDH1A1
SCHEMBL1868718 0.83 KCNH2 (0.46) ALDH1A1
SCHEMBL2641951 0.83 CNR2 (0.41) TSHRHTTPDE2AMAPK1

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 TSHR 2577/4885HTT 3834/4885PKM 116/4885

“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.