SCHEMBL1863391

SCHEMBL1863391

COC(=O)Cc1ccc2c(c1)CCS2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
GFER P55789 1/20 0.47
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
HSP90AB1 P08238 1/20 0.42
HPGD P15428 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SLC7A5 Q01650 1/20 0.39
RYR2 Q92736 5/20 0.38
PDK2 Q15119 1/20 0.38
SLC6A4 P31645 1/20 0.37

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
SCHEMBL25569782 0.83 AKR1B1 (0.36) ALDH1A1HPGDMAPTSMN1; SMN2RYR2
SCHEMBL1861656 0.81 AKR1B1 (0.50) ALDH1A1GAAHPGDMAPTTSHR
SCHEMBL25569783 0.81 LMNA (0.35) ALDH1A1MAPTRYR2SLC6A4
SCHEMBL11662795 0.79 HPGD (0.46) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL27538537 0.78 MEN1 (0.49) ALDH1A1GAAGFERHPGDMAPT
SCHEMBL27765592 0.77 CYP3A4 (0.49) ALDH1A1MAPTNPC1RYR2SLC6A4
SCHEMBL8847933 0.76 ALDH1A1 (0.54) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL21226550 0.76 ALDH1A1 (0.43) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL9511370 0.74 ALDH1A1 (0.54) ALDH1A1GAAGFERCYP4F2CYP4A11
SCHEMBL21450552 0.74 ALDH1A1 (0.44) ALDH1A1GAAGFERCYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
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 ALDH1A1 1567/4885GAA 150/4885GFER 2766/4885

“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.