SCHEMBL709549

SCHEMBL709549

COc1cc(OC)cc(C(=O)c2cc3cc(OCc4ccccc4)ccc3n2S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.58
HDAC6 Q9UBN7 5/20 0.58
HDAC3 O15379 4/20 0.58
HDAC4 P56524 4/20 0.58
HDAC7 Q8WUI4 4/20 0.58
HDAC2 Q92769 4/20 0.58
HDAC10 Q969S8 4/20 0.58
HDAC11 Q96DB2 4/20 0.58
HDAC8 Q9BY41 4/20 0.58
HDAC9 Q9UKV0 4/20 0.58
HDAC5 Q9UQL6 4/20 0.58
SRD5A2 P31213 2/20 0.53
BCL2 P10415 1/20 0.50
BID P55957 1/20 0.50
MCL1 Q07820 1/20 0.50
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
LTB4R Q15722 1/20 0.44
LTB4R2 Q9NPC1 1/20 0.44

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
SCHEMBL7067339 0.91 BCL2 (0.55) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL20742924 0.85 SRD5A2 (0.60) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL31159405 0.85 BCL2 (0.66) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL7065914 0.83 ALDH1A1 (0.58) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL20761835 0.83 BCL2 (0.58) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL6866199 0.82 HDAC3 (0.69) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL31159349 0.81 NOD2 (0.61) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL20753214 0.81 SRD5A2 (0.55) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL31159493 0.81 SRD5A2 (0.55) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL31159364 0.81 HDAC1 (0.62) HDAC1HDAC6HDAC3HDAC4HDAC7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1553075-B1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO (JP) 2013-08-14 EP disclosed
EP-2565178-A1 LPA Receptor Antagonists ONO PHARMACEUTICAL CO., LTD. (JP) 2013-03-06 EP disclosed
US-20120088782-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 US disclosed
US-8124645-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2012-02-28 US disclosed
US-7820682-B2 LPA receptor antagonist ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-26 US disclosed
US-20100249157-A2 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. (JP) 2010-09-30 US disclosed
US-20080293764-A1 LPA RECEPTOR ANTAGONIST ONO PHARMACEUTICAL CO., LTD. 2008-11-27 US disclosed
US-20060148830-A1 Lpa receptor antagonist ONO PHARMACEUTICAL CO., LTD. 2006-07-06 US disclosed
EP-1553075-A1 LPA RECEPTOR ANTAGONISTS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-07-13 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 (4 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-20080293764-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 HDAC1 983/4885HDAC6 808/4885HDAC3 1505/4885
US-20100249157-A2 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 HDAC1 983/4885HDAC6 808/4885HDAC3 1505/4885
US-20120088782-A1 LPA RECEPTOR ANTAGONIST LPAR1, LPAR2, LPAR4 HDAC1 983/4885HDAC6 808/4885HDAC3 1505/4885
US-20060148830-A1 Lpa receptor antagonist LPAR1, LPAR2, LPAR4 HDAC1 983/4885HDAC6 808/4885HDAC3 1505/4885

“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.