SCHEMBL5609719

SCHEMBL5609719

Cc1ccccc1-c1ccccc1C(C)[S]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
DCUN1D1 Q96GG9 1/20 0.36
BRD4 O60885 1/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 2/20 0.34
ALDH1A1 P00352 3/20 0.34
PKM P14618 2/20 0.34
KDM4E B2RXH2 2/20 0.34
PRNP P04156 1/20 0.34
PPARG P37231 1/20 0.34
MAPK10 P53779 1/20 0.34

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
SCHEMBL6314140 0.82 DHFR (0.45) ESR1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10763455 0.81 ESR1 (0.52) ESR1TSHRACHEGAAALDH1A1
SCHEMBL11204879 0.78 ESR1 (0.45) ESR1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL5610691 0.78 ESR1 (0.40) ESR1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL5609645 0.76 CA12 (0.42) ALDH1A1PPARGCDC25ACDC25BHPGD
SCHEMBL4537404 0.76 ESR1 (0.41) ESR1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL7647280 0.76 ESR1 (0.41) ESR1NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL30169568 0.75 ACHE (0.64) NPC1RAB9ASMN1; SMN2TSHRACHE
SCHEMBL197690 0.75 ACHE (0.64) NPC1RAB9ASMN1; SMN2TSHRACHE
SCHEMBL30354037 0.75 ACHE (0.64) NPC1RAB9ASMN1; SMN2TSHRACHE

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 10 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-01 US disclosed
EP-1354602-A1 MEDICINAL COMPOSITIONS CONTAINING DIURETIC AND INSULIN RESISTANCE-IMPROVING AGENT Sankyo Company, Limited (JP) 2003-10-22 EP disclosed
US-6596751-B2 An insulin resistance improving agent, hypoglycemic agent, immunoregulatory agent, aldose reductase inhibitor, 5-lipoxygenase inhibitor, peroxidized lipid production suppressor, PPAR. activator, leukotriene antagonist, adipose SANKYO COMPANY LIMITED (JP) 2003-07-22 US disclosed
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-04-10 US disclosed
EP-1167357-A1 ALPHA-SUBSTITUTED CARBOXYLIC ACID DERIVATIVES Sankyo Company, Limited (JP) 2002-01-02 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-20040002512-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ESR1 775/4885NPC1 2139/4885RAB9A 2079/4885
US-20030069294-A1 Alpha-substituted carboxylic acid derivatives SLC5A1, SLC2A1, GPR119 ESR1 775/4885NPC1 2139/4885RAB9A 2079/4885
US-20040053974-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ESR1 2451/4885NPC1 981/4885RAB9A 3117/4885
US-20050288339-A1 Medicinal compositions containing diuretic and insulin resistance-improving agent GPR119, INSR, IRS1 ESR1 2451/4885NPC1 981/4885RAB9A 3117/4885

“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.