SCHEMBL2899731

SCHEMBL2899731

COC(=O)c1ccc2c[c]ccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.53
LCK P06239 1/20 0.50
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
CA12 O43570 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
ALOX15 P16050 2/20 0.45
HTT P42858 2/20 0.45
PLAU P00749 2/20 0.45
HGFAC Q04756 1/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL8890461 0.93 LCK (0.50) PTPN11LCKCA1CA2CA12
SCHEMBL29365729 0.84 PTPN11 (0.68) PTPN11LCKCA1CA2CA12
SCHEMBL69025 0.84 PTPN11 (0.68) PTPN11LCKCA1CA2CA12
SCHEMBL8732524 0.82 PTPN11 (0.66) PTPN11LCKCA1CA2CA12
SCHEMBL15711096 0.81 CYP2A6 (0.50) CA2MAPTKDM4EALDH1A1HPGD
SCHEMBL6606896 0.80 PLAU (0.57) HTTPLAUHPGDHDAC1SMN1; SMN2
SCHEMBL9979782 0.80 PTPN11 (0.64) PTPN11LCKCA1CA2CA12
SCHEMBL8748193 0.80 MAPT (0.49) CA12CA9ALOX15MAPTKDM4E
SCHEMBL294464 0.80 CA12 (0.51) PTPN11CA1CA2CA12CA7
SCHEMBL8748414 0.79 ESR1 (0.54) HPGDLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2160187-B1 SPIROINDALONES MERCK SHARP & DOHME (US) 2013-05-22 EP claimed
US-8309544-B2 Spiroindalones MERCK SHARP & DOHME CORP. (US) 2012-11-13 US claimed
US-20100137297-A1 SPIROINDALONES MERCK SHARP & DOHME LLC 2010-06-03 US claimed
CN-101678011-A Spiro-indolinone compounds MERCK & CO INC 2010-03-24 CN claimed
EP-2160187-A1 SPIROINDALONES Merck Sharp & Dohme Corp. (US) 2010-03-10 EP claimed
WO-2008144266-A1 SPIROINDALONES MERCK & CO., INC. (US) 2008-11-27 WO claimed
CN-1582287-A Thiophenylthiopyrane dioxides as MMP or TNF-alpha inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2005-02-16 CN claimed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
CN-117651552-A Therapeutic or prophylactic agent for covd-19 国立大学法人广岛大学 2024-03-05 CN disclosed
CN-111201215-B Novel amide compound, pin1 inhibitor using same, therapeutic agent for inflammatory disease, and therapeutic agent for cancer 国立大学法人广岛大学 2024-01-26 CN disclosed
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 HIROSHIMA UNIVERSITY (JP) 2024-01-25 US disclosed
EP-4248997-A1 THERAPEUTIC AGENT OR PROPHYLACTIC AGENT FOR COVID-19 Hiroshima University (JP) 2023-09-27 EP disclosed
EP-3178323-B1 NOXIOUS ARTHROPOD CONTROL AGENT CONTAINING AMIDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2021-06-23 EP disclosed
US-5391806-A A storage stable chromogens as color-developing agent or stabilizers MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-21 US disclosed
US-5306688-A Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion MITSUI TOATSU CHEMICALS, INC. (JP) 1994-04-26 US disclosed
US-5270281-A Chromogenic compound MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1993-12-14 US disclosed
EP-0534257-A1 Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-03-31 EP disclosed
EP-0524419-A1 Heat-sensitive recording materials and phenol compounds MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-01-27 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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 PTPN11 734/4885LCK 2738/4885CA1 612/4885
US-20240024266-A1 Therapeutic Agent or Prophylactic Agent for COVID-19 PIN1, ACE2, ACE PTPN11 515/4885LCK 192/4885CA1 1563/4885
US-20100137297-A1 SPIROINDALONES HIF1AN, HIF1A, EGLN2 PTPN11 3495/4885LCK 4802/4885CA1 2823/4885

“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.