SCHEMBL5610023

SCHEMBL5610023

Cc1ccc(CCCCS)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.54
▸ IGF1R P08069 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2A6 P11509 1/20 0.50
▸ TAAR1 Q96RJ0 1/20 0.50
▸ HRH1 P35367 1/20 0.48
▸ KCNH2 Q12809 2/20 0.41
▸ HRH3 Q9Y5N1 1/20 0.41
▸ DRD2 P14416 1/20 0.40
▸ DRD4 P21917 1/20 0.40
▸ DRD3 P35462 1/20 0.40
▸ ESR1 P03372 2/20 0.39
▸ ADRA2A P08913 2/20 0.39
▸ ADORA3 P0DMS8 2/20 0.39
▸ TACR2 P21452 2/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL12125077 0.98 IDO1 (0.52) IDO1IGF1RALOX15CYP1A2CYP2A6
SCHEMBL5574530 0.94 IGF1R (0.48) IDO1IGF1RALOX15CYP1A2CYP2A6
SCHEMBL5609061 0.93 IDO1 (0.56) IDO1IGF1RALOX15CYP1A2CYP2A6
SCHEMBL6546754 0.87 IGF1R (0.64) IDO1IGF1RALOX15CYP1A2CYP2A6
SCHEMBL2158616 0.86 IDO1 (0.50) IDO1IGF1RALOX15CYP1A2CYP2A6
SCHEMBL10571160 0.85 IGF1R (0.61) IDO1IGF1RALOX15CYP1A2CYP2A6
SCHEMBL5605676 0.82 IDO1 (0.62) IDO1IGF1RALOX15CYP1A2CYP2A6
SCHEMBL6546878 0.82 CYP1A2 (0.62) IDO1IGF1RALOX15CYP1A2CYP2A6
SCHEMBL6546824 0.78 MAOB (0.60) IGF1RALOX15CYP1A2CYP2A6TAAR1
SCHEMBL10596579 0.78 IDO1 (0.44) IDO1HRH1ESR1ADRA2AADORA3

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 15 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
EP-0916651-B1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES SANKYO CO (JP) 2003-10-15 — — EP disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 — — US disclosed
US-6103907-A ALDOSE REDUCTASE INHIBITING ANTIDIABETIC AGENT SANKYO COMPANY, LIMITED (JP) 2000-08-15 — — US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 — — EP disclosed
EP-0916651-A1 PHENYLALKYLCARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 1999-05-19 — — EP disclosed
EP-0316942-B1 MANUFACTURE OF DISULFIDES PHILLIPS PETROLEUM COMPANY (US) 1993-04-14 — — EP disclosed
US-4868336-A CATALYTIC OXIDATION OF MERCAPTAN PHILLIPS PETROLEUM COMPANY (US) 1989-09-19 — — US disclosed
EP-0316942-A2 Manufacture of disulfides PHILLIPS PETROLEUM COMPANY (US) 1989-05-24 — — 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 IDO1 4195/4885IGF1R 9/4885ALOX15 1884/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 IDO1 804/4885IGF1R 63/4885ALOX15 95/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 IDO1 4195/4885IGF1R 9/4885ALOX15 1884/4885

“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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