SCHEMBL1144922

SCHEMBL1144922

O=S(=O)(O)c1ccc2ncsc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HKDC1 Q2TB90 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
ALDH1A1 P00352 3/20 0.50
PKM P14618 1/20 0.50
GLO1 Q04760 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
CHRM5 P08912 3/20 0.46
CCKBR P32239 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
NAMPT P43490 2/20 0.44
HSPD1 P10809 1/20 0.43
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43

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
Hydrochloric Acid SCHEMBL27712066 0.98 NPC1 (0.51) NPC1RAB9AKDM4EL3MBTL1HKDC1
SCHEMBL6466331 0.86 CHRM5 (0.44) NPC1RAB9AKDM4EL3MBTL1HKDC1
Hydrochloric Acid SCHEMBL27810068 0.84 CHRM5 (0.43) NPC1RAB9AKDM4EL3MBTL1HKDC1
SCHEMBL12157404 0.82 ALDH1A1 (0.53) NPC1RAB9AKDM4EL3MBTL1HKDC1
SCHEMBL742714 0.82 ALDH1A1 (0.50) NPC1RAB9AKDM4EL3MBTL1HKDC1
SCHEMBL4238576 0.82 RXFP1 (0.60) NPC1RAB9AKDM4EL3MBTL1HKDC1
Hydrochloric Acid SCHEMBL14895505 0.81 RXFP1 (0.58) NPC1RAB9AKDM4EL3MBTL1HKDC1
SCHEMBL13211046 0.78 ALDH1A1 (0.60) NPC1RAB9AKDM4EL3MBTL1HKDC1
SCHEMBL31119754 0.78 IKBKB (0.56) NPC1RAB9AKDM4EL3MBTL1HKDC1
SCHEMBL22955425 0.78 RIPK1 (0.62) NPC1RAB9AKDM4EL3MBTL1HKDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111505071-B Integrated microelectrode sensor for simultaneous detection of pH and AA and preparation method and application thereof 商丘师范学院 2022-06-10 CN claimed
CN-102206216-B Pyrrolo[2,3-B] pyridine derivatives as protein kinase inhibitors PLEXXIKON INC 2014-11-12 CN claimed
EP-2142610-B1 DYE-BASED INK FORMULATIONS HEWLETT PACKARD DEVELOPMENT CO (US) 2014-03-12 EP claimed
US-8562121-B2 Black ink-jet inks with reduced lightness and haze HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2013-10-22 US claimed
US-8470818-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2013-06-25 US claimed
CN-101663365-B Dye-based black ink formulations and inkjet ink sets SHANGHAI HEWLETT PACKARD CO LTD 2012-09-05 CN claimed
EP-2220168-B1 BLACK INK-JET INKS WITH REDUCED LIGHTNESS AND HAZE HEWLETT PACKARD DEVELOPMENT CO (US) 2012-07-25 EP claimed
CN-102206216-A Pyrrolo[2,3-B] pyridine derivatives as protein kinase inhibitors PLEXXIKON INC 2011-10-05 CN claimed
EP-1893612-B1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS PLEXXIKON INC (US) 2011-08-03 EP claimed
US-20110043577-A1 Black Ink-jet Inks With Reduced Lightness And Haze HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2011-02-24 US claimed
EP-2097414-A1 PYRROLO [2, 3-B]PYRIDINE DERIVATIVES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2009-09-09 EP claimed
WO-2009070176-A1 BLACK INK-JET INKS WITH REDUCED LIGHTNESS AND HAZE HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2009-06-04 WO claimed
WO-2008131393-A2 DYE-BASED BLACK INK FORMULATIONS AND INK-JET INK SETS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2008-10-30 WO claimed
WO-2008131396-A2 DYE-BASED INK FORMULATIONS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2008-10-30 WO claimed
US-20080257207-A1 Dye-based ink formulations HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2008-10-23 US claimed
US-20080257206-A1 Dye-based black ink formulations and ink-jet ink sets HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. 2008-10-23 US claimed
WO-2008124524-A2 ARYL SULFONAMIDE COMPOUNDS AS MODULATORS OF THE CCK2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-10-16 WO claimed
US-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC 2008-07-10 US claimed
WO-2008079906-A1 PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS KINASE MODULATORS PLEXXIKON, INC. (US) 2008-07-03 WO claimed
WO-2008026046-A1 MORPHOLINE D3 DOPAMINE ANTAGONISTS PFIZER PRODUCTS INC. (US) 2008-03-06 WO claimed

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-20080167338-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K20, MAP3K13, MAP3K8 NPC1 2367/4885RAB9A 1597/4885KDM4E 2029/4885

“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.