Sugi Predict

Sugi Predict / Compounds / SCHEMBL2876648

SCHEMBL2876648

SCHEMBL2876648

C[C@@H](O)[C@H](NCc1ccc(-c2ccc(CNC(=O)O)cc2)cc1)C(=O)NO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 2/20 0.48
▸ ANPEP P15144 3/20 0.45
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ ITGB3 P05106 1/20 0.41
▸ ITGB1 P05556 1/20 0.41
▸ ITGAV P06756 1/20 0.41
▸ ITGA5 P08648 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL12064314 0.89 ALDH1A1 (0.52) MEP1BANPEPHDAC3HDAC4HDAC1
SCHEMBL404304 0.89 ALDH1A1 (0.52) MEP1BANPEPHDAC3HDAC4HDAC1
SCHEMBL399676 0.89 ALDH1A1 (0.52) MEP1BANPEPHDAC3HDAC4HDAC1
SCHEMBL399832 0.89 ALDH1A1 (0.52) MEP1BANPEPHDAC3HDAC4HDAC1
SCHEMBL2258599 0.86 MEP1B (0.54) MEP1BHDAC3HDAC4HDAC1HDAC7
SCHEMBL402593 0.85 BACE1 (0.47) MEP1BHDAC3HDAC6ITGB3ITGB1
SCHEMBL10286652 0.83 SDCBP (0.49) MEP1BHDAC1HDAC10HDAC6NPSR1
SCHEMBL2876644 0.82 MEP1B (0.42) MEP1BANPEPITGB3ITGB1ITGAV
SCHEMBL14195913 0.82 MEP1B (0.61) MEP1BANPEPHDAC3HDAC4HDAC1
SCHEMBL5130164 0.82 MEP1B (0.58) MEP1BANPEPALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 — — US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 — — US disclosed
US-20090247506-A1 Antibacterial agents CHIRON CORPORATION 2009-10-01 — — US disclosed
US-20090163496-A1 ANTIBACTERIAL AGENTS UNIVERSITY OF WASHINGTON (US) 2009-06-25 — — US disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 — — US disclosed
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 — — 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 (5 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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS MEP1B 1047/4885ANPEP 744/4885HDAC3 2114/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS MEP1B 1047/4885ANPEP 744/4885HDAC3 2114/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MEP1B 1047/4885ANPEP 744/4885HDAC3 2114/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS MEP1B 1047/4885ANPEP 744/4885HDAC3 2114/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS MEP1B 1047/4885ANPEP 744/4885HDAC3 2114/4885

“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.