SCHEMBL2440907

SCHEMBL2440907

N[C@@H](Cc1ccc(-c2cccnc2)cc1)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 2/20 0.46
ECE1 P42892 2/20 0.45
MKNK1 Q9BUB5 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.42
HDAC8 Q9BY41 3/20 0.41
CYP2A6 P11509 1/20 0.41
PPARG P37231 1/20 0.40
GPR88 Q9GZN0 1/20 0.40
CCR1 P32246 1/20 0.40
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 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
SCHEMBL3800888 1.00 MMP12 (0.46) MMP12ECE1MKNK1MKNK2LMNA
SCHEMBL2440911 1.00 MMP12 (0.46) MMP12ECE1MKNK1MKNK2LMNA
SCHEMBL3800894 1.00 MMP12 (0.46) MMP12ECE1MKNK1MKNK2LMNA
SCHEMBL3804480 0.89 ROCK1 (0.47) MKNK2CCR1
SCHEMBL3800008 0.89 ROCK1 (0.47) MKNK2CCR1
SCHEMBL3800006 0.89 ROCK1 (0.47) MKNK2CCR1
SCHEMBL3804477 0.89 ROCK1 (0.47) MKNK2CCR1
SCHEMBL3804366 0.89 CYP3A4 (0.55) MMP12ECE1CYP3A4
SCHEMBL3804358 0.89 CYP3A4 (0.55) MMP12ECE1CYP3A4
SCHEMBL3795178 0.87 CCR1 (0.42) CYP3A4CCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140194349-A1 HIV Protease Inhibiting Compounds ABBVIE INC. (US) 2014-07-10 US disclosed
EP-1697344-B1 HIV PROTEASE INHIBITING COMPOUNDS ABBOTT LAB (US) 2011-09-28 EP disclosed
EP-2266971-A2 Hiv protease inhibiting compounds Abbott Laboratories (US) 2010-12-29 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 (1 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-20140194349-A1 HIV Protease Inhibiting Compounds SERPINB1, HPN, DNPEP MMP12 130/4885ECE1 343/4885MKNK1 1822/4885

“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.