SCHEMBL5608977

SCHEMBL5608977

CSc1ccc2ccccc2c1[S]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ HSD17B10 Q99714 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ SLC2A1 P11166 1/20 0.41
▸ HPRT1 P00492 1/20 0.41
▸ CYP1A2 P05177 1/20 0.39
▸ HIF1A Q16665 2/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ USP2 O75604 1/20 0.35
▸ PAK1 Q13153 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL11908113 0.80 CYP2A6 (0.50) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL1057369 0.77 CYP2A6 (0.46) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL13021634 0.77 TSHR (0.56) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL30357700 0.77 CYP2A6 (0.46) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL5317194 0.76 TUBB4A (0.42) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL5610086 0.75 SLC2A1 (0.44) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL11467447 0.75 PTPN22 (0.54) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL17875623 0.75 POLB (0.50) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL17877049 0.73 SLC2A1 (0.43) CYP2A6ALDH1A1TSHRHSD17B10TDP1
SCHEMBL3083110 0.73 HPGD (0.53) ALDH1A1TSHRHSD17B10TDP1SLC2A1

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 9 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-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent SANKYO COMPANY, LIMITED (JP) 2004-03-18 — — US disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 — — US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 — — EP disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 — — US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 — — 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 (3 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-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 CYP2A6 3649/4885ALDH1A1 2128/4885TSHR 899/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 CYP2A6 769/4885ALDH1A1 3508/4885TSHR 257/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 CYP2A6 3649/4885ALDH1A1 2128/4885TSHR 899/4885

“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.

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