SCHEMBL4085957

SCHEMBL4085957

COC(=O)Cc1c(C(=O)OC)ccc(N)c1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
ALDH1A1 P00352 7/20 0.45
GAA P10253 6/20 0.45
KDM4E B2RXH2 6/20 0.45
HSD17B10 Q99714 4/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
GLA P06280 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ATM Q13315 1/20 0.44
CFTR P13569 2/20 0.44
GFER P55789 1/20 0.41
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NQO2 P16083 3/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL31514237 0.83 ALDH1A1 (0.44) ABL1ALDH1A1GAAKDM4EHSD17B10
SCHEMBL17071998 0.79 ABL1 (0.61) ABL1ALDH1A1GAAKDM4EHSD17B10
SCHEMBL4085699 0.78 KDM4E (0.40) ABL1ALDH1A1GAAKDM4EHSD17B10
SCHEMBL3666380 0.76 ABL1 (0.57) ABL1ALDH1A1GAAKDM4EHSD17B10
SCHEMBL30364633 0.75 SMN1; SMN2 (0.49) ALDH1A1HSD17B10HPGDTSHRCFTR
SCHEMBL3653378 0.75 SMN1; SMN2 (0.49) ALDH1A1HSD17B10HPGDTSHRCFTR
SCHEMBL28721909 0.74 ABL1 (0.56) ABL1ALDH1A1GAAKDM4EHSD17B10
SCHEMBL13715480 0.74 ABL1 (0.56) ABL1ALDH1A1GAAKDM4EHSD17B10
SCHEMBL10514582 0.74 ABL1 (0.56) ABL1ALDH1A1GAAKDM4EHSD17B10
SCHEMBL31280031 0.74 ABL1 (0.59) ABL1ALDH1A1GAAKDM4EHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 ABL1 384/4885ALDH1A1 1619/4885GAA 198/4885

“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.