SCHEMBL5609800

SCHEMBL5609800

Cc1ccc(CC[S])cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2A6 P11509 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
IDO1 P14902 1/20 0.48
KCNH2 Q12809 2/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
ACHE P22303 1/20 0.44
IGF1R P08069 1/20 0.43
ALOX15 P16050 1/20 0.43
AGXT P21549 2/20 0.42
CHKA P35790 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
HRH1 P35367 1/20 0.39
FFAR1 O14842 1/20 0.39
DAO P14920 1/20 0.38
MAPT P10636 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
SCHEMBL5610565 0.84 CYP1A2 (0.52) CYP1A2CYP2A6TAAR1IDO1KCNH2
SCHEMBL5610012 0.82 IGF1R (0.53) CYP1A2CYP2A6TAAR1IDO1KCNH2
SCHEMBL11288839 0.82 CYP1A2 (0.68) CYP1A2CYP2A6TAAR1IDO1KCNH2
SCHEMBL143961 0.82 CYP1A2 (0.68) CYP1A2CYP2A6TAAR1IDO1KCNH2
SCHEMBL11765526 0.80 IGF1R (0.52) CYP1A2CYP2A6TAAR1IDO1KCNH2
SCHEMBL10839970 0.78 LPL (0.50) TAAR1ALDH1A1L3MBTL1
SCHEMBL9172804 0.78 TAAR1 (0.56) CYP2A6TAAR1IDO1TDP1ALDH1A1
SCHEMBL6546754 0.77 IGF1R (0.64) CYP1A2CYP2A6TAAR1IDO1KCNH2
SCHEMBL6546878 0.77 CYP1A2 (0.62) CYP1A2CYP2A6TAAR1IDO1KCNH2
SCHEMBL1806452 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199139-B2 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2007-04-03 US disclosed
EP-1354602-B1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT SANKYO CO (JP) 2006-10-04 EP disclosed
EP-1695716-A2 Medicinal compositions containing diuretics and insulin sensitizers Sankyo Company, Limited (JP) 2006-08-30 EP disclosed
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2005-12-29 US disclosed
US-20040110718-A1 Anti-HCV nucleoside derivatives DEVOS RENE (GB) 2004-06-10 US disclosed
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
EP-0916651-B1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES SANKYO CO (JP) 2003-10-15 EP disclosed
WO-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 WO disclosed
EP-1315736-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 EP disclosed
US-20030008841-A1 Anti-HCV nucleoside derivatives F. HOFFMAN-LA ROCHE, A SWISS COMPANY (CH) 2003-01-09 US disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 WO disclosed
US-6103907-A ALDOSE REDUCTASE INHIBITING ANTIDIABETIC AGENT SANKYO COMPANY, LIMITED (JP) 2000-08-15 US disclosed
EP-0916651-A1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 1999-05-19 EP 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 (4 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-20030008841-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 CYP1A2 3228/4885CYP2A6 2754/4885TAAR1 3481/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 CYP1A2 3228/4885CYP2A6 2754/4885TAAR1 3481/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 CYP1A2 4073/4885CYP2A6 3649/4885TAAR1 3666/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 CYP1A2 4073/4885CYP2A6 3649/4885TAAR1 3666/4885

“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.