SCHEMBL3815433

SCHEMBL3815433

COc1ccc(F)cc1C(NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
TRPA1 O75762 1/20 0.38
LMNA P02545 2/20 0.37
CTSA P10619 2/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
ACE P12821 1/20 0.37
PPARG P37231 1/20 0.36
PPARA Q07869 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR3 Q99500 1/20 0.36

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
SCHEMBL29364123 1.00 CTSS (0.41) CTSSCTSKKDM4EALDH1A1GAA
SCHEMBL30558136 1.00 CTSS (0.41) CTSSCTSKKDM4EALDH1A1GAA
SCHEMBL3762203 0.86 CTSS (0.43) CTSSCTSKALDH1A1AAK1TRPA1
SCHEMBL30765251 0.86 CTSS (0.43) CTSSCTSKALDH1A1AAK1TRPA1
SCHEMBL17395943 0.85 CTSS (0.49) CTSSCTSKITGA4ITGB7ACE
SCHEMBL21777294 0.85 CTSS (0.49) CTSSCTSKITGA4ITGB7ACE
SCHEMBL265969 0.85 CTSS (0.49) CTSSCTSKITGA4ITGB7ACE
SCHEMBL23414163 0.84 CTSS (0.40) CTSSCTSKKDM4EALDH1A1GAA
SCHEMBL3822263 0.83 CTSS (0.43) CTSSCTSKAAK1TRPA1ACE
SCHEMBL29571131 0.83 CTSS (0.43) CTSSCTSKAAK1TRPA1ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110753691-B Compounds for therapeutic and/or prophylactic treatment of cancer 豪夫迈·罗氏有限公司 2024-02-02 CN disclosed
CN-116693518-A Synthesis and application of EGFR inhibitor 江南大学 2023-09-05 CN disclosed
EP-3986565-B1 NEW EGFR INHIBITORS HOFFMANN LA ROCHE (CH) 2023-08-30 EP disclosed
US-20220315577-A1 NEW EGFR INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2022-10-06 US disclosed
EP-3630754-B1 ISOINDOLINE-ACETYLENE COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2022-07-27 EP disclosed
EP-3986565-A1 NEW EGFR INHIBITORS F. Hoffmann-La Roche AG (CH) 2022-04-27 EP disclosed
CN-113993589-A Novel EGFR inhibitors 豪夫迈·罗氏有限公司 2022-01-28 CN disclosed
US-11117890-B2 Substituted isoindole allosteric EGFR inhibitors HOFFMAN LA-ROCHE INC. (US) 2021-09-14 US disclosed
WO-2020254544-A1 NEW EGFR INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2020-12-24 WO disclosed
EP-3749664-A1 COMPOUNDS WHICH CAUSE DEGRADATION OF EGFR, FOR USE AGAINST CANCER F. Hoffmann-La Roche AG (CH) 2020-12-16 EP disclosed
EP-3630754-A1 COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-04-08 EP disclosed
US-20200102299-A1 COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2020-04-02 US disclosed
CN-110753691-A Compound (I) 豪夫迈·罗氏有限公司 2020-02-04 CN disclosed
WO-2019149922-A1 COMPOUNDS WHICH CAUSE DEGRADATION OF EGFR, FOR USE AGAINST CANCER F. HOFFMANN-LA ROCHE AG (CH) 2019-08-08 WO disclosed
WO-2018220149-A1 COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2018-12-06 WO disclosed
EP-1791837-B1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2009-08-19 EP disclosed
US-7371869-B2 Substituted hydantoins HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1791837-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. Hoffmann-Roche AG (CH) 2007-06-06 EP disclosed
WO-2006029862-A1 SUBSTITUTED HYDANTOINS FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2006-03-23 WO disclosed
US-20060063814-A1 Substituted hydantoins GOODNOW ROBERT A JR 2006-03-23 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 (4 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-11117890-B2 Substituted isoindole allosteric EGFR inhibitors EGFR, ERBB2, ERBB3 CTSS 4274/4885CTSK 3549/4885KDM4E 2855/4885
US-20200102299-A1 COMPOUNDS EGFR, ERBB2, ERBB3 CTSS 1132/4885CTSK 2666/4885KDM4E 2845/4885
US-20060063814-A1 Substituted hydantoins HNMT, MAPK6, KYNU CTSS 1158/4885CTSK 1629/4885KDM4E 704/4885
US-20220315577-A1 NEW EGFR INHIBITORS EGFR, ERBB3, ERBB2 CTSS 1340/4885CTSK 912/4885KDM4E 1867/4885

“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.