SCHEMBL4385964

SCHEMBL4385964

O[C@H](COCc1ccccc1)[C@@H](O)COCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.66
CA2 P00918 2/20 0.66
CA7 P43166 2/20 0.66
CA9 Q16790 2/20 0.66
TSHR P16473 2/20 0.61
KMT2A Q03164 1/20 0.60
TACR1 P25103 4/20 0.54
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.50
SLC1A1 P43005 1/20 0.50

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
SCHEMBL93709 1.00 CA1 (0.66) CA1CA2CA7CA9TSHR
SCHEMBL4382418 1.00 CA1 (0.66) CA1CA2CA7CA9TSHR
SCHEMBL93708 1.00 CA1 (0.66) CA1CA2CA7CA9TSHR
SCHEMBL4169644 0.92 KMT2A (0.58) CA1CA2CA7CA9TSHR
SCHEMBL13595511 0.92 KMT2A (0.58) CA1CA2CA7CA9TSHR
SCHEMBL9725029 0.92 KMT2A (0.58) CA1CA2CA7CA9TSHR
SCHEMBL25032346 0.88 KMT2A (0.62) CA1CA2CA7CA9TSHR
SCHEMBL9480893 0.88 KMT2A (0.62) CA1CA2CA7CA9TSHR
SCHEMBL21843055 0.88 KMT2A (0.62) CA1CA2CA7CA9TSHR
SCHEMBL2218905 0.88 CA1 (0.58) CA1CA2CA7CA9TSHR

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 CA1 4673/4885CA2 3499/4885CA7 2872/4885

“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.