SCHEMBL6399741

SCHEMBL6399741

SSc1ccccc1Oc1ccccc1SS

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 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
SCHEMBL2059269 0.80 CA1 (0.55) CA12CA1CA2CA4CA7
SCHEMBL28956706 0.75 ALDH1A1 (0.50) ALDH1A1L3MBTL1
SCHEMBL9958753 0.74 DDB1 (0.31)
SCHEMBL2774997 0.74 SLC6A2 (0.49) CA12CA1CA2CA4CA7
SCHEMBL9557282 0.70 MAPT (0.47) ALDH1A1MAPK1L3MBTL1
SCHEMBL9696629 0.69 CA12 (0.30) CA12CA1CA9
SCHEMBL1691876 0.69 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3POLBALDH1A1
SCHEMBL943601 0.67 HPGD (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1HTT
SCHEMBL942982 0.67 MAPK1 (0.37) ALDH1A1MAPK1L3MBTL1TSHR
SCHEMBL1363113 0.67 MAPT (0.50) SLC6A2SLC6A4SLC6A3ALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8901184-B2 Foamed resin molded article, foam insulated wire, cable and method of manufacturing foamed resin molded article HITACHI METALS, LTD. (JP) 2014-12-02 US disclosed
US-20140080933-A1 FOAMED RESIN MOLDED ARTICLE, FOAM INSULATED WIRE, CABLE AND METHOD OF MANUFACTURING FOAMED RESIN MOLDED ARTICLE HITACHI CABLE, LTD. (JP) 2014-03-20 US disclosed
US-20050272936-A1 Imidazolium cxcr3 inhibitors SMITHKLINE BEECHAM CORPORATION 2005-12-08 US disclosed
US-5869522-A SOLVENT EXTRACTION; PLANT EXTRACTS; TRIMERIZATION OF 2,3-DEOXY-1,4-NAPHTHOQUINONE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1999-02-09 US disclosed
US-5783598-A Antiretroviral naphthoquinone compounds compositions and uses thereof THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SEVICES (US) 1998-07-21 US disclosed
US-5672607-A FOR TREATING OR PREVENTING VIRAL OR RETROVIRAL INFECTIONS THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-09-30 US disclosed
EP-0681578-B1 ANTIVIRAL NAPHTHOQUINONE COMPOUNDS, COMPOSITIONS AND USES THEREOF US HEALTH (US) 1997-05-07 EP disclosed
EP-0681578-A1 ANTIVIRAL NAPHTHOQUINONE COMPOUNDS, COMPOSITIONS AND USES THEREOF. US HEALTH (US) 1995-11-15 EP disclosed
WO-1994017055-A1 ANTIVIRAL NAPHTHOQUINONE COMPOUNDS, COMPOSITIONS AND USES THEREOF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-08-04 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 (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-20050272936-A1 Imidazolium cxcr3 inhibitors CXCR3, CXCR1, CCR7 CA12 2359/4885CA1 2015/4885CA2 976/4885

“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.