SCHEMBL10286012

SCHEMBL10286012

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2ccc(NC(=O)CNCC3CCCCN3)cc2)cc1)C(=O)NO

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 3/20 0.40
ADORA2A P29274 1/20 0.40
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37

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
SCHEMBL1109456 0.97 ADORA2A (0.42) IKBKBADORA2A
SCHEMBL14400823 0.97 ADORA2A (0.42) IKBKBADORA2A
SCHEMBL10286011 0.97 ADORA2A (0.42) IKBKBADORA2A
SCHEMBL403580 0.93 ADORA2A (0.38) ADORA2A
SCHEMBL405301 0.90 ADORA2A (0.40) ADORA2A
SCHEMBL402541 0.90 ADORA2A (0.40) ADORA2A
SCHEMBL1912120 0.87 ALDH1A1 (0.46) HDAC6
SCHEMBL10285984 0.86 HDAC6 (0.45) IKBKBHDAC4HDAC6
SCHEMBL10286660 0.85 ADORA2A (0.40) IKBKBADORA2AHDAC4HDAC6
SCHEMBL1109451 0.84 ACP1 (0.40)

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
US-8153843-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2012-04-10 US disclosed
US-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 US disclosed
US-8084615-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2011-12-27 US disclosed
US-7989660-B2 BACTERICIDE AGAINST GRAMNEGATIVE BACTERIA; RESPIARATORY SYSTEM DISORDERS NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2011-08-02 US disclosed
US-20110172174-A1 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS INC. 2011-07-14 US disclosed
US-20100324025-A1 Antibacterial Agents UNIVERSITY OF WASHINGTON (US) 2010-12-23 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 IKBKB 792/4885ADORA2A 4036/4885HDAC4 1820/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS IKBKB 792/4885ADORA2A 4036/4885HDAC4 1820/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS IKBKB 792/4885ADORA2A 4036/4885HDAC4 1820/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS IKBKB 792/4885ADORA2A 4036/4885HDAC4 1820/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS IKBKB 792/4885ADORA2A 4036/4885HDAC4 1820/4885

“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.