SCHEMBL207065

SCHEMBL207065

O=S1(=O)N[C]=Nc2ccc(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.39
CA1 P00915 2/20 0.39
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
NOS1 P29475 1/20 0.30
METAP2 P50579 1/20 0.30
CSNK2A1 P68400 1/20 0.30

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
SCHEMBL209303 0.86 CA1 (0.36) CA2CA1CA12CA9CA4
SCHEMBL209210 0.79 CA1 (0.39) CA2CA1CA12CA9CA4
SCHEMBL208488 0.76
SCHEMBL31070298 0.70 CA2 (0.41) CA2CA1CA12CA9CA4
SCHEMBL11693059 0.68 CA2 (0.45) CA2CA1CA12CA9CA4
SCHEMBL16577537 0.66 CA1 (0.40) CA2CA1CA12CA9CA4
SCHEMBL5627678 0.64 CA2 (0.41) CA2CA1CA12CA9CA4
SCHEMBL15586574 0.63 CDC7 (0.38) CA2CA1CA12CA9CA4
SCHEMBL208746 0.61 AHR (0.38)
SCHEMBL30834838 0.58 CA12 (0.62) CA2CA1CA12CA9CA4

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1925611-B1 OPTICALLY ACTIVE DIAMINE DERIVATIVE AND PROCESS FOR PRODUCING THE SAME DAIICHI SANKYO CO LTD (JP) 2016-04-13 EP disclosed
EP-1577301-B1 Antithrombotic diaminocyclohexane derivatives DAIICHI SANKYO CO LTD (JP) 2012-09-12 EP disclosed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US disclosed
US-20110312990-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-12-22 US disclosed
US-8058440-B2 Process for producing 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine-2-carboxylic acid DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-15 US disclosed
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 US disclosed
US-20110054177-A1 PROCESS FOR PRODUCING 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-c]PYRIDINE-2-CARBOXYLIC ACID DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-03 US disclosed
US-7880005-B2 reacting 5-methyl-4,5,6,7-tetrahydrothiazolo[5,4-c]pyridine with an alkali metal nitrite in the presence of a reducing agent in an aqueous solution of an acidic compound; hydrolysis; industrial scale DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-02-01 US disclosed
EP-2266992-A2 Process for producing thiazole derivative Daiichi Sankyo Company, Limited (JP) 2010-12-29 EP disclosed
US-20070129371-A1 Novel ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-06-07 US disclosed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US disclosed
EP-1683800-A1 PROCESS FOR PRODUCING THIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-07-26 EP disclosed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US disclosed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US disclosed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US disclosed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 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 (8 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-20110054177-A1 PROCESS FOR PRODUCING 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-c]PYRIDINE-2-CARBOXYLIC ACID PAH, CA4, TET2 CA2 23/4885CA1 86/4885CA12 271/4885
US-20070129371-A1 Novel ethylenediamine derivatives C1R, C9, C1S CA2 3666/4885CA1 1918/4885CA12 2480/4885
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 CA2 4301/4885CA1 1171/4885CA12 3135/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R CA2 4658/4885CA1 2347/4885CA12 3961/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R CA2 4658/4885CA1 2347/4885CA12 3961/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R CA2 4658/4885CA1 2347/4885CA12 3961/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CA2 1137/4885CA1 879/4885CA12 1305/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CA2 4684/4885CA1 2310/4885CA12 3968/4885

“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.