SCHEMBL2861691

SCHEMBL2861691

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
VNN1 O95497 1/20 0.40
EPHX2 P34913 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
AKR1C3 P42330 1/20 0.39
GCGR P47871 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38

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
SCHEMBL2860047 0.88 PTGS2 (0.42) SMN1; SMN2HDAC3HDAC1HDAC2VNN1
SCHEMBL2865471 0.87 CYP3A4 (0.45) MEN1KMT2ARAB9AHPGDAKR1C3
SCHEMBL2865023 0.86 AKR1C3 (0.44) KMT2AAKR1C3PPARGPPARABCL2L1
SCHEMBL2861760 0.84 GAA (0.44) SMN1; SMN2MEN1KMT2AL3MBTL1NPC1
SCHEMBL2861394 0.84 SLC22A12 (0.40) HPGD
SCHEMBL2861918 0.84 PKM (0.42) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL2859720 0.82 NPC1 (0.38) SMN1; SMN2MEN1KMT2AHDAC3HDAC1
SCHEMBL2863503 0.82 L3MBTL1 (0.40) SMN1; SMN2MEN1KMT2AL3MBTL1NPC1
SCHEMBL28791690 0.81 HDAC3 (0.37) HDAC3HDAC1HDAC2VNN1NPC1
SCHEMBL2856141 0.80 VNN1 (0.38) L3MBTL1VNN1

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 8 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
CN-100567242-C Hsp90 family protein blockers KYOWA HAKKO KOGYO KK (JP) 2009-12-09 CN 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
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN 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 SMN1; SMN2 4682/4885MEN1 4773/4885KMT2A 3681/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P SMN1; SMN2 4682/4885MEN1 4773/4885KMT2A 3681/4885

“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.