SCHEMBL5609061

SCHEMBL5609061

Cc1ccc(CCCS)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.56
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2A6 P11509 1/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.52
▸ IGF1R P08069 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HRH1 P35367 1/20 0.46
▸ KCNH2 Q12809 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ DRD4 P21917 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ ACHE P22303 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ AGXT P21549 2/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHKA P35790 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ KMT2A Q03164 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
SCHEMBL2158616 0.93 IDO1 (0.50) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL5610023 0.93 IDO1 (0.54) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL12125077 0.91 IDO1 (0.52) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL5574530 0.87 IGF1R (0.48) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL5605676 0.84 IDO1 (0.62) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL6546878 0.84 CYP1A2 (0.62) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL6546754 0.84 IGF1R (0.64) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL10571160 0.81 IGF1R (0.61) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL5609711 0.80 CYP1A2 (0.52) IDO1CYP1A2CYP2A6TAAR1IGF1R
SCHEMBL2158412 0.78 IDO1 (0.54) IDO1CYP1A2CYP2A6TAAR1IGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-02-25 — — US disclosed
EP-2968440-B1 CYTOTOXIC AND ANTI-MITOTIC COMPOUNDS, AND METHODS OF USING THE SAME ZYMEWORKS INC (CA) 2019-06-05 — — EP disclosed
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
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
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-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 — — US 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-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 — — EP disclosed
CN-1219927-A Phenylalkylcarboxylic acid derivatives SANKYO CO (JP) 1999-06-16 — — CN 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 (6 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 IDO1 1985/4885CYP1A2 3228/4885CYP2A6 2754/4885
US-20040110718-A1 Anti-HCV nucleoside derivatives PNP, HAVCR2, NUDT14 IDO1 1985/4885CYP1A2 3228/4885CYP2A6 2754/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 IDO1 4195/4885CYP1A2 4073/4885CYP2A6 3649/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 IDO1 804/4885CYP1A2 1102/4885CYP2A6 769/4885
US-20210052584-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SLC26A4 IDO1 4683/4885CYP1A2 3773/4885CYP2A6 2987/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 IDO1 4195/4885CYP1A2 4073/4885CYP2A6 3649/4885

“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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