SCHEMBL513720

SCHEMBL513720

[CH2]SCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2C9 P11712 1/20 0.59
IDO1 P14902 4/20 0.58
LOXL2 Q9Y4K0 1/20 0.55
MAPT P10636 3/20 0.54
TSHR P16473 1/20 0.52
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
GFER P55789 1/20 0.49
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL3244320 0.83 CYP2C19 (0.63) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL1035377 0.83 CYP2C19 (0.81) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL7244787 0.81 CYP2C19 (0.79) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL1145244 0.80 TSHR (0.58) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL4266569 0.79 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL8014656 0.79 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL513721 0.79 CYP2C19 (0.59) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL28866767 0.79 IDO1 (0.62) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL7489100 0.78 CYP2C19 (0.58) CYP2C19CYP1A2CYP2C9IDO1LOXL2
SCHEMBL5521816 0.77 TSHR (0.61) CYP2C19CYP1A2CYP2C9MAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2007-01-18 US claimed
EP-1452522-A2 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-09-01 EP claimed
US-20040147745-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2004-07-29 US claimed
EP-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 EP claimed
US-20030096796-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-05-22 US claimed
JP-2002539191-A 2002-11-19 JP claimed
US-6455502-B1 Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2002-09-24 US claimed
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP claimed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
WO-2014184071-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
WO-2014184070-A1 MIXTURES OF HALOALKYLSULFONANILIDE DERIVATIVES AND HERBICIDES SYNGENTA LIMITED (GB) 2014-11-20 WO disclosed
EP-2420493-A1 HALOALKYLSULFONANILIDE DERIVATIVE Nissan Chemical Industries, Ltd. (JP) 2012-02-22 EP disclosed
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
US-5352659-A Polypeptide; hypotensive agents TAKEDA CHEMICAL INDUSTRIES (JP) 1994-10-04 US disclosed
US-5306808-A Endothelin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-26 US disclosed
EP-0547317-A1 Endothelin antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-23 EP disclosed
EP-0499266-A1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-19 EP disclosed
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 WO 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-20030096796-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CYP2C19 1596/4885CYP1A2 2894/4885CYP2C9 1293/4885
US-20120029187-A1 HALOALKYLSULFONANILIDE DERIVATIVE CBR3, CBR1, HDHD5 CYP2C19 1344/4885CYP1A2 1189/4885CYP2C9 242/4885
US-20040147745-A1 Novel compounds and compositions as protease inhibitors CTRL, SERPINB1, CPN1 CYP2C19 1596/4885CYP1A2 2894/4885CYP2C9 1293/4885
US-20070015755-A1 NOVEL COMPOUNDS AND COMPOSITIONS AS PROTEASE INHIBITORS CTRL, SERPINB1, CPN1 CYP2C19 1596/4885CYP1A2 2894/4885CYP2C9 1293/4885

“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.