SCHEMBL2861918

SCHEMBL2861918

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
ALOX15 P16050 1/20 0.40
GFER P55789 1/20 0.40
ADAM17 P78536 1/20 0.40
EPHX2 P34913 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.39
POLB P06746 2/20 0.39
ATM Q13315 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 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
SCHEMBL2871577 0.88 ATM (0.43) PKMALOX15GFERADAM17HTT
SCHEMBL2865471 0.87 CYP3A4 (0.45) HTTLMNAMAPTMEN1KMT2A
SCHEMBL2861760 0.84 GAA (0.44) PKMALOX15GFERHTTL3MBTL1
SCHEMBL2861394 0.84 SLC22A12 (0.40) PKMGFERHTTLMNAMAPT
SCHEMBL2861691 0.84 SMN1; SMN2 (0.42) EPHX2L3MBTL1POLBMEN1KMT2A
SCHEMBL2854641 0.82 LMNA (0.36) PKMALOX15GFERADAM17HTT
SCHEMBL2863503 0.82 L3MBTL1 (0.40) GFERHTTL3MBTL1LMNAMAPT
SCHEMBL2865023 0.81 AKR1C3 (0.44) HTTMAPTKMT2AALDH1A1KDM4E
SCHEMBL2856141 0.80 VNN1 (0.38) GFERL3MBTL1ALDH1A1
SCHEMBL2861690 0.79 LMNA (0.35) PKMALOX15GFERADAM17EPHX2

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 PKM 4298/4885ALOX15 4762/4885GFER 495/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P PKM 4298/4885ALOX15 4762/4885GFER 495/4885

“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.