SCHEMBL4798547

SCHEMBL4798547

[CH2]OCc1cc(F)cc(F)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.58
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
AGXT P21549 3/20 0.35
GSK3B P49841 2/20 0.35
BACE1 P56817 2/20 0.35
MMP2 P08253 2/20 0.35
MMP9 P14780 2/20 0.35
MMP1 P03956 1/20 0.35
MMP12 P39900 1/20 0.35
ACHE P22303 1/20 0.33
DHFR P00374 1/20 0.33
DCPS Q96C86 1/20 0.33
TACR1 P25103 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
DAO P14920 1/20 0.31
SOD1 P00441 1/20 0.31
DBH P09172 1/20 0.31

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
SCHEMBL4797676 0.77 IDO1 (0.64) IDO1AGXT
SCHEMBL3149166 0.75 IDO1 (0.54) IDO1CA12CA1CA9AGXT
SCHEMBL25417019 0.75 CYP11B1 (0.38) IDO1AGXT
SCHEMBL1145421 0.74 IDO1 (0.58) IDO1CA12CA1CA9AGXT
SCHEMBL28274630 0.74 IDO1 (0.58) IDO1CA12CA1CA9AGXT
SCHEMBL4798553 0.74 IDO1 (0.58) IDO1CA12CA1CA9AGXT
SCHEMBL1520865 0.74 IDO1 (1.00) IDO1AGXT
Hydrochloric Acid SCHEMBL660379 0.72 IDO1 (1.00) IDO1AGXT
SCHEMBL5781149 0.72 IDO1 (0.50) IDO1CA12CA1CA9AGXT
SCHEMBL15573480 0.70 IDO1 (0.54) IDO1CA12CA1CA9AGXT

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-7342031-B2 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-03-11 US disclosed
US-20070293510-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED ( A JAPANESE CORPORATION) (JP) 2007-12-20 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 US disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP disclosed
EP-0003261-B1 OXADITHIADIAZAPENTALENES, THEIR PREPARATION, FUNGICIDAL COMPOSITIONS CONTAINING THEM AND THE CONTROL OF FUNGI USING THEM CHEVRON RESEARCH COMPANY (US) 1981-12-30 EP disclosed
US-4179441-A REACTING SULFUR HALIDE WITH N-CYANOMETHYLCARBOXAMIDE; CYCLIZATION CHEVRON RESEARCH COMPANY (US) 1979-12-18 US disclosed
EP-0003261-A1 Oxadithiadiazapentalenes, their preparation, fungicidal compositions containing them and the control of fungi using them CHEVRON RESEARCH COMPANY (US) 1979-08-08 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-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH IDO1 890/4885CA12 4870/4885CA1 4786/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 IDO1 446/4885CA12 4666/4885CA1 4504/4885
US-20070293510-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH IDO1 912/4885CA12 4867/4885CA1 4789/4885

“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.