SCHEMBL489723

SCHEMBL489723

CCCCCN(Cc1ccc(C(=O)O)cc1)C(=O)CNC(=O)C(CC(C)C)C(=O)NO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.47
HDAC6 Q9UBN7 4/20 0.47
HDAC3 O15379 2/20 0.47
HDAC2 Q92769 2/20 0.47
NCOR2 Q9Y618 1/20 0.47
MMP8 P22894 5/20 0.47
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CNR2 P34972 2/20 0.40
ERAP2 Q6P179 1/20 0.40
ERAP1 Q9NZ08 1/20 0.40
LNPEP Q9UIQ6 1/20 0.40
HSP90AA1 P07900 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
SCHEMBL489273 0.86 LTB4R2 (0.57) MMP8
SCHEMBL841257 0.85 HDAC1 (0.54) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL489466 0.80 MMP8 (0.45) MMP8ERAP2ERAP1LNPEP
SCHEMBL489725 0.74 MMP8 (0.49) MMP8ERAP2ERAP1LNPEP
SCHEMBL841450 0.73 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL8074051 0.71 MMP8 (0.43) MMP8ERAP2ERAP1LNPEP
SCHEMBL840547 0.71 HDAC1 (0.50) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL489727 0.69 MMP8 (0.48) HDAC1HDAC6HDAC3HDAC2NCOR2
SCHEMBL841258 0.69 MMP8 (0.54) MMP8ERAP2ERAP1LNPEP
SCHEMBL839763 0.67 HDAC1 (0.53) HDAC1HDAC6HDAC3HDAC2NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236839-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-08-07 US disclosed
US-8236839-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-08-07 US disclosed
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-04-12 US disclosed
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-04-12 US disclosed
US-8106082-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-01-31 US disclosed
US-8106082-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-01-31 US disclosed
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-27 US disclosed
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-27 US disclosed
US-7834041-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2010-11-16 US disclosed
US-7834041-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2010-11-16 US disclosed
US-7834041-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2010-11-16 US disclosed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 US disclosed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 US disclosed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 US disclosed
WO-2009035543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-03-19 WO 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 (3 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-20090093417-A1 Dual-acting antihypertensive agents AGTR1, REN, AGTR2 HDAC1 794/4885HDAC6 1032/4885HDAC3 276/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 HDAC1 794/4885HDAC6 1032/4885HDAC3 276/4885
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 HDAC1 794/4885HDAC6 1032/4885HDAC3 276/4885

“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.