SCHEMBL1458463

SCHEMBL1458463

CC(C)CC(C(=O)O)C(=O)NO

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 6/20 0.53
FOLH1 Q04609 1/20 0.50
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45
RNPEP Q9H4A4 1/20 0.44
MME P08473 1/20 0.44
SLC7A5 Q01650 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL30583398 1.00 MMP8 (0.53) MMP8FOLH1ERAP2ERAP1LNPEP
SCHEMBL25381978 0.82 MMP8 (0.50) MMP8ERAP2ERAP1LNPEP
SCHEMBL10685757 0.80 ECE1 (0.58) MMP8ERAP2ERAP1LNPEPMME
SCHEMBL1200181 0.79 RNPEP (0.57) RNPEPMMESLC7A5ALDH1A1
SCHEMBL28937194 0.75 FOLH1 (0.54) MMP8FOLH1MME
SCHEMBL27363047 0.74 FOLH1 (0.48) FOLH1SLC7A5
Hydroxyamine SCHEMBL20817080 0.74 SLC7A5 (0.59) RNPEPMMESLC7A5ALDH1A1
SCHEMBL180035 0.72 RNPEP (0.50) RNPEPMMESLC7A5ALDH1A1
SCHEMBL5143583 0.71 RNPEP (0.44) FOLH1RNPEPMMESLC7A5ALDH1A1
SCHEMBL8159103 0.71 MME (0.62) FOLH1RNPEPMMESLC7A5ALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501798-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-8501798-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-8501798-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-20120258992-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-10-11 US disclosed
US-20120258992-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-10-11 US disclosed
US-20120258992-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-10-11 US disclosed
US-8227497-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-07-24 US disclosed
US-8227497-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-07-24 US disclosed
US-8227497-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-07-24 US disclosed
US-20110251249-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-10-13 US disclosed
US-20110251249-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-10-13 US disclosed
US-7989484-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-08-02 US disclosed
US-7989484-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-08-02 US disclosed
US-7989484-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-08-02 US disclosed
EP-2297113-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2011-03-23 EP disclosed
WO-2009134741-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-11-05 WO disclosed
WO-2009134741-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-11-05 WO disclosed
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-10-29 US disclosed
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-10-29 US disclosed
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-10-29 US 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-20120258992-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MMP8 2395/4885FOLH1 1857/4885ERAP2 281/4885
US-20110251249-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MMP8 2395/4885FOLH1 1857/4885ERAP2 281/4885
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN MMP8 2395/4885FOLH1 1857/4885ERAP2 281/4885

“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.