SCHEMBL1207296

SCHEMBL1207296

C#CCCC#CNC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.36
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
CTSS P25774 4/20 0.32
CA12 O43570 2/20 0.32
CA14 Q9ULX7 2/20 0.32
APLNR P35414 1/20 0.32
PTPN11 Q06124 1/20 0.31
CTSL P07711 1/20 0.31
CTSB P07858 1/20 0.31
KCNQ4 P56696 1/20 0.30
KCNQ5 Q9NR82 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
SCHEMBL30464727 0.82 CTSK (0.41) CTSKTDP1CA1CA2CA7
SCHEMBL19787902 0.81 CTSK (0.36) CTSKTDP1CA1CA2CA7
SCHEMBL2396853 0.79 MEN1 (0.36) CTSKTDP1CA1CA2CA7
SCHEMBL30975132 0.78 CTSK (0.39) CTSKTDP1CA1CA2CA7
SCHEMBL18712103 0.77 CTSK (0.38) CTSKTDP1CA1CA2CA7
SCHEMBL6692466 0.77 PTPN11 (0.46) CTSKTDP1CA1CA2CA7
SCHEMBL5728803 0.77 CTSK (0.38) CTSKTDP1CA1CA2CA7
SCHEMBL6623918 0.75 MEN1 (0.38) CTSKTDP1CA1CA2CA7
SCHEMBL6624037 0.75 CYP2D6 (0.38) CTSKTDP1CA1CA2CA7
SCHEMBL28763686 0.74 KDM4E (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024017372-A1 INDOLONE DERIVATIVE AND USE THEREOF 成都百裕制药股份有限公司 2024-01-25 WO disclosed
EP-2073803-B1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LTD (GB) 2018-09-19 EP disclosed
EP-2546233-B1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LTD (GB) 2018-02-21 EP disclosed
EP-2073804-B1 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THE TREATMENT OF PAIN ASTEX THERAPEUTICS LTD (GB) 2017-09-13 EP disclosed
US-9730912-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2017-08-15 US disclosed
US-9428439-B2 Hydrobenzamide derivatives as inhibitors of Hsp90 ASTEX THERAPEUTICS LTD. (GB) 2016-08-30 US disclosed
US-8916552-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-12-23 US disclosed
US-8883790-B2 Pharmaceutical combinations ASTEX THERAPEUTICS LIMITED (GB) 2014-11-11 US disclosed
US-20140221394-A1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 Astex Therapeutic Ltd. (GB) 2014-08-07 US disclosed
US-8779132-B2 Pharmaceutical compounds ASTEX THERAPEUTICS LIMITED (GB) 2014-07-15 US disclosed
EP-2073804-A2 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY Astex Therapeutics Limited (GB) 2009-07-01 EP disclosed
EP-2073802-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 EP disclosed
EP-2073803-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 EP disclosed
EP-2073807-A1 PHARMACEUTICAL COMBINATIONS Astex Therapeutics Limited (GB) 2009-07-01 EP disclosed
WO-2008044045-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044029-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044027-A2 PHARMACEUTICAL COMPOUNDS HAVING HSP90 INHIBITORY OR MODULATING ACTIVITY ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044054-A2 HYDROXY-SUBSTITUTED BENZOIC ACID AMIDE COMPOUNDS FOR USE IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044041-A1 PHARMACEUTICAL COMBINATIONS ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 WO disclosed
WO-2008044034-A1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 ASTEX THERAPEUTICS LIMITED (GB) 2008-04-17 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-20140221394-A1 HYDROBENZAMIDE DERIVATIVES AS INHIBITORS OF HSP90 HSP90AB1, HSP90AA1, HSP90AB2P CTSK 4111/4885TDP1 1244/4885CA1 3570/4885

“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.