SCHEMBL4388904

SCHEMBL4388904

COCCc1c(Br)c(O)cc(O)c1-c1cccc(C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.40
PTPN11 Q06124 1/20 0.40
GPR35 Q9HC97 1/20 0.39
KMO O15229 1/20 0.39
RXRA P19793 2/20 0.39
RXRB P28702 2/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
CNR2 P34972 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 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
SCHEMBL4383963 0.89 ERN1 (0.41) ERN1
SCHEMBL4381978 0.85 PDE4B (0.40) CNR2KMT2AMEN1PDE4APDE4B
SCHEMBL4394964 0.80 EGFR (0.43) ERN1PTPN11KMORXRARXRB
SCHEMBL4387184 0.77 CNR2 (0.39) LMNAGAACNR2KMT2AMEN1
SCHEMBL4381380 0.75 ERN1 (0.44) ERN1RAB9A
SCHEMBL2864985 0.75 CNR2 (0.43) LMNAGAACNR2SMN1; SMN2CNR1
SCHEMBL15225300 0.75
SCHEMBL4382744 0.75 CNR2 (0.41) CNR2PDE4APDE4BPDE4CPDE4D
SCHEMBL4387458 0.74 ERN1 (0.44) ERN1CNR2RAB9A
SCHEMBL4388252 0.73 ADRB2 (0.42) GAAKMT2AMEN1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P ERN1 1073/4885PTPN11 440/4885GPR35 1403/4885

“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.