SCHEMBL2861760

SCHEMBL2861760

CCc1c(O)cc(O)c(C(=O)c2ccc(F)cc2)c1CC(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CNR2 P34972 1/20 0.40
MAPT P10636 6/20 0.39
HTT P42858 4/20 0.39
KDM4E B2RXH2 3/20 0.39
LMNA P02545 3/20 0.39
MAPK1 P28482 3/20 0.39
TP53 P04637 2/20 0.39
ALOX15 P16050 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
USP2 O75604 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL2861394 0.90 SLC22A12 (0.40) GAAMAPTHTTLMNACA12
SCHEMBL2856141 0.88 VNN1 (0.38) GAAL3MBTL1CNR2ALDH1A1GFER
SCHEMBL2865471 0.87 CYP3A4 (0.45) GAACNR2MAPTHTTLMNA
SCHEMBL2863503 0.87 L3MBTL1 (0.40) GAAL3MBTL1MAPTHTTKDM4E
SCHEMBL2865023 0.86 AKR1C3 (0.44) MAPTHTTKDM4EKMT2AALDH1A1
SCHEMBL2864862 0.85 MAPT (0.42) GAACNR2MAPTHTTKDM4E
SCHEMBL2856267 0.84 LMNA (0.46) HTTLMNAMAPK1RAB9AHSP90AB1
SCHEMBL2861691 0.84 SMN1; SMN2 (0.42) L3MBTL1TP53MEN1KMT2ANPC1
SCHEMBL2861918 0.84 PKM (0.42) L3MBTL1MAPTHTTKDM4ELMNA
SCHEMBL2861252 0.84 SMN1; SMN2 (0.38) GAAHTTKDM4EHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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 (2 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P GAA 1593/4885L3MBTL1 1050/4885CNR2 2984/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P GAA 1593/4885L3MBTL1 1050/4885CNR2 2984/4885

“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.