SCHEMBL2657057

SCHEMBL2657057

ClCC(Cl)CCOCCC(Cl)CCl

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL4456260 0.84
SCHEMBL11796395 0.79
SCHEMBL7516996 0.75 TP53 (0.50) TP53TSHRTDP1
SCHEMBL11063662 0.75 TP53 (0.46) TP53TSHRTDP1
SCHEMBL14473742 0.75 TP53 (0.33) TP53TSHRTDP1
SCHEMBL4456257 0.71
SCHEMBL4412484 0.71 TP53 (0.31) TP53TSHRTDP1
SCHEMBL7528143 0.69 TP53 (0.44) TP53TSHRTDP1
SCHEMBL7525524 0.69 TP53 (0.44) TP53TSHRTDP1
SCHEMBL1773037 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-12-08 US disclosed
EP-2157859-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE Takeda Pharmaceutical Company Limited (JP) 2010-03-03 EP disclosed
WO-2008156757-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-24 WO disclosed
EP-0020896-B1 A METHOD OF FABRICATING DITHIAFULVEN GEMINAL DITHIOLATE COMPOUNDS AND THEIR SELENIUM ANALOGS International Business Machines Corporation (US) 1983-11-16 EP disclosed
US-4405515-A Heterofulvalene geminal dithiolate compounds and their selenium and tellurium analogs and a method of fabricating the same INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1983-09-20 US disclosed
US-4362662-A Heterofulvalene geminal dithiolate compounds and their selenium and tellurium analogs and a method of fabricating the same INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1982-12-07 US disclosed
US-4312991-A Dithiobenzoate 4,5-dicyano-1,3-(dithiolidene-2-yl)methylene INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1982-01-26 US disclosed
EP-0020896-A1 A method of fabricating dithiafulven geminal dithiolate compounds and their selenium analogs International Business Machines Corporation (US) 1981-01-07 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 (1 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-20110301155-A1 INDAZOLE COMPOUNDS FOR ACTIVATING GLUCOKINASE GCKR, GCK, KHK TP53 4135/4885TSHR 1056/4885TDP1 4552/4885

“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.