SCHEMBL4090632

SCHEMBL4090632

COC(=O)Cc1cc(N)ccc1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.58
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 5/20 0.46
HSD17B10 Q99714 4/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
GLA P06280 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
ATM Q13315 1/20 0.46
PDGFRB P09619 1/20 0.46
FGFR1 P11362 1/20 0.46
PDGFRA P16234 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
KDR P35968 1/20 0.46
ABL1 P00519 1/20 0.45
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.43

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
SCHEMBL9081162 0.87 GAA (0.54) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL4036931 0.85 GAA (0.64) GAAALDH1A1KDM4EHSD17B10MAPT
Hydrochloric Acid SCHEMBL27508101 0.83 GAA (0.62) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL8144382 0.83 ALDH1A1 (0.47) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL22072838 0.82 GAA (0.60) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL26328127 0.82 GAA (0.60) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14336221 0.81 ALDH1A1 (0.46) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL22072854 0.81 GAA (0.58) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL14547866 0.81 GAA (0.58) GAAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL21464329 0.81 KDM4E (0.51) GAAALDH1A1KDM4EHSD17B10HPGD

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
WO-2025009852-A1 NOVEL PYRAZOLE DERIVATIVE AND USE THEREOF 주식회사 이노보테라퓨틱스 2025-01-09 WO disclosed
EP-2036895-B9 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-07-10 EP disclosed
EP-2036895-B1 HSP90 INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2013-01-16 EP disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-8193351-B2 HSP90 inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-05 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
US-20090247524-A1 HSP90 Inhibitor CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-10-01 US disclosed
EP-2036895-A1 HSP90 INHIBITOR CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-03-18 EP disclosed
WO-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 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-20090247524-A1 HSP90 Inhibitor HSP90AB1, HSP90B1, HSP90AA1 GAA 198/4885ALDH1A1 1619/4885KDM4E 3822/4885

“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.