SCHEMBL2854641

SCHEMBL2854641

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
HTT P42858 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
PKM P14618 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX15 P16050 2/20 0.34
GFER P55789 1/20 0.34
ADAM17 P78536 1/20 0.34
MAPT P10636 3/20 0.33

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
SCHEMBL2861690 0.94 LMNA (0.35) LMNAPOLBHTTHDAC3HDAC4
SCHEMBL2860086 0.91 PARP10 (0.39) LMNAPOLBALOX15MAPTKDM4E
SCHEMBL2861241 0.87 ALDH1A1 (0.45) LMNAPOLBL3MBTL1ALOX15MAPT
SCHEMBL2856124 0.87 HPGD (0.38) HTTMAPTALDH1A1HPGDGAA
SCHEMBL2859720 0.86 NPC1 (0.38) POLBHDAC3HDAC1HDAC2HPGD
SCHEMBL2861718 0.85 TSPO (0.35) LMNAPOLBHTTALOX15MAPT
SCHEMBL2854718 0.85 POLB (0.42) LMNAPOLBHTTL3MBTL1ALOX15
SCHEMBL2862043 0.85 SLC22A12 (0.36) LMNAPOLBHTTHDAC3HDAC4
SCHEMBL2871577 0.84 ATM (0.43) LMNAPOLBHTTHDAC3HDAC4
SCHEMBL2857173 0.84 HSP90AA1 (0.35) HTTMAPTALDH1A1HPGDGAA

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 7 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 claimed
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 LMNA 4283/4885POLB 4195/4885HTT 644/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P LMNA 4283/4885POLB 4195/4885HTT 644/4885

“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.