SCHEMBL208172

SCHEMBL208172

O=[C]NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
F2 P00734 3/20 0.53
PRSS1 P07477 3/20 0.53
PRSS2 P07478 3/20 0.53
PRSS3 P35030 3/20 0.53
HCRTR1 O43613 1/20 0.51
SCN1A P35498 2/20 0.49
SCN2A Q99250 2/20 0.49
SCN3A Q9NY46 2/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TSHR P16473 1/20 0.49
PGR P06401 1/20 0.49

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
SCHEMBL2854940 0.90 HCRTR1 (0.47) CA1CA2CA9F2PRSS1
SCHEMBL7686511 0.84 PGR (0.39) CA1CA2CA9F2PRSS1
SCHEMBL11174841 0.84 CA1 (0.52) CA1CA2CA9F2PRSS1
SCHEMBL6580093 0.80 CA1 (0.61) CA1CA2CA9F2PRSS1
SCHEMBL6006442 0.78 SCN1A (0.54) CA1CA2CA9F2PRSS1
SCHEMBL8645259 0.77 SCN1A (0.56) CA1CA2CA9F2PRSS1
SCHEMBL6006452 0.77 CYP3A4 (0.59) CA1CA2CA9F2PRSS1
SCHEMBL2371351 0.77 CA1 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL10994471 0.77 CA1 (0.57) CA1CA2CA9F2PRSS1
SCHEMBL8224014 0.77 F2 (0.60) CA1CA2CA9F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1027640-C Process for producing novel trifluoromethyl ketone substituted peptide derivatives ICI AMERICA INC (US) 1995-02-15 CN claimed
US-4327097-A BACTERICIDES FOR MAMMALS TOYAMA CHEMICAL CO., LTD. (JP) 1982-04-27 US claimed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 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-7935824-B2 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-05-03 US 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
US-5264453-A Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-11-23 US disclosed
EP-0289911-B1 PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-06-16 EP disclosed
CN-1020899-C METHOD FOR PREPARATION OF PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1993-05-26 CN disclosed
WO-1993006108-A1 PYRROLOBENZOXAZINE DERIVATIVES AS 5-HT AGONISTS AND ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-04-01 WO disclosed
US-5130323-A PYRROLIDINE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-07-14 US disclosed
EP-0367130-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-09 EP disclosed
US-4916152-A THROMBOXANE A2 ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-04-10 US disclosed
CN-88102511-A PYRROLIDINE DERIVATIVES 1988-11-23 CN disclosed
EP-0289911-A2 Pyrrolidine derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-09 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-20110054177-A1 PROCESS FOR PRODUCING 5-METHYL-4,5,6,7-TETRAHYDROTHIAZOLO[5,4-c]PYRIDINE-2-CARBOXYLIC ACID PAH, CA4, TET2 CA1 86/4885CA2 23/4885CA9 36/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 CA1 879/4885CA2 1137/4885CA9 1232/4885
US-20110312990-A1 Diamine Derivatives C9, C1S, C1R CA1 2310/4885CA2 4684/4885CA9 4362/4885

“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.