SCHEMBL4491505

SCHEMBL4491505

COC(=O)c1ccc(C#CC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.53
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MAPT P10636 4/20 0.47
TSHR P16473 2/20 0.46
ALDH1A1 P00352 2/20 0.44
NOTUM Q6P988 1/20 0.44
P2RY6 Q15077 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
LMNA P02545 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
RAB9A P51151 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL69268 0.83 PTPN11 (0.69) PTPN11CA1CA2TDP1CA12
SCHEMBL22031725 0.83 LMNA (0.59) PTPN11CA1CA2TDP1CA12
SCHEMBL4001178 0.82 CA1 (0.53) CA1CA2TDP1CA12CA7
SCHEMBL9277746 0.81 PTPN11 (0.51) PTPN11CA1CA2TDP1CA12
SCHEMBL9876492 0.81 PTPN11 (0.55) PTPN11CA1CA2TDP1CA12
SCHEMBL28610694 0.80 ACACB (0.43) MAPTALDH1A1LMNAL3MBTL1RAB9A
SCHEMBL10412465 0.80 PTPN11 (0.60) PTPN11CA1CA2TDP1CA12
SCHEMBL30727809 0.79 HDAC6 (0.48) CA2MAPTTSHRLMNAL3MBTL1
SCHEMBL23883617 0.79 PTPN11 (0.49) PTPN11CA1CA2TDP1CA12
SCHEMBL22687947 0.79 PTPN11 (0.49) PTPN11CA1CA2TDP1CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250257075-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2025-08-14 US disclosed
EP-4551578-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2025-05-14 EP disclosed
WO-2024008610-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-01-11 WO disclosed
WO-2024008610-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2024-01-11 WO disclosed
CN-114702504-B Trifluoromethyl substituted indolopyranone compound, preparation method thereof and application thereof in antitumor drugs 平顶山学院 2023-04-07 CN disclosed
CN-114702504-A Trifluoromethyl substituted indolopyranone compound, preparation method thereof and application thereof in antitumor drugs 平顶山学院 2022-07-05 CN disclosed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 US disclosed
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP disclosed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO disclosed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 US 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-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 PTPN11 2096/4885CA1 876/4885CA2 277/4885
US-20250257075-A1 MACROCYCLIC INHIBITORS OF KRAS FOR THE TREATMENT OF CANCER KRAS, NRAS, HRAS PTPN11 660/4885CA1 2710/4885CA2 1159/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 PTPN11 2096/4885CA1 876/4885CA2 277/4885

“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.