SCHEMBL4386004

SCHEMBL4386004

COCOc1cc(CC(=O)OC)c(-c2cccs2)c(OCOC)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 2/20 0.35
ADK P55263 1/20 0.35
USP2 O75604 1/20 0.35
MIF P14174 1/20 0.35
KDM4E B2RXH2 4/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
AHR P35869 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
RPS6KB2 Q9UBS0 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL2866502 0.81 EGFR (0.43) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL4386409 0.81 ESR1 (0.39) RAB9ANPC1HPGDLMNAKDM4E
SCHEMBL4384140 0.79 EGFR (0.46) RAB9ANPC1SMN1; SMN2TP53KDM4E
SCHEMBL4390545 0.78 ROR1 (0.43) HPGDKDM4EMAPTALDH1A1HSD17B10
SCHEMBL4394443 0.77 PDK2 (0.39) HPGDLMNAALDH1A1HSD17B10MEN1
SCHEMBL4382066 0.77 ALDH1A1 (0.36) P2RX3SMN1; SMN2TP53HPGDLMNA
SCHEMBL4388923 0.77 CCNC (0.41) SMN1; SMN2
SCHEMBL4386233 0.76 EGFR (0.39) RAB9ANPC1SMN1; SMN2HPGDKDM4E
SCHEMBL4378269 0.76 EGFR (0.38) LMNAMAPTALDH1A1KMT2AL3MBTL1
SCHEMBL4386175 0.76 L3MBTL1 (0.40) HPGDKDM4EMAPTALDH1A1MEN1

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 P2RX3 2132/4885RAB9A 585/4885NPC1 1090/4885

“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.