SCHEMBL403873

SCHEMBL403873

C[C@@H](O)[C@@H](C(=O)NO)N(C(=O)Cc1ccccc1)C(=O)Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MMP1 P03956 6/20 0.44
MMP3 P08254 5/20 0.44
MMP8 P22894 3/20 0.43
MMP9 P14780 3/20 0.43
MMP7 P09237 1/20 0.43
MMP2 P08253 2/20 0.42
MMP13 P45452 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42

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
SCHEMBL8584344 0.70 TSHR (0.46) TSHRMEN1KMT2A
SCHEMBL12856883 0.69 NPY5R (0.54) TSHRMEN1KMT2A
SCHEMBL12157433 0.69 KMT2A (0.53) TSHRMEN1KMT2A
SCHEMBL1697391 0.68 LMNA (0.50) MEN1KMT2AHDAC8HDAC6MMP1
SCHEMBL5053649 0.67 TSHR (0.52) TSHRMEN1KMT2A
SCHEMBL13485806 0.67 TSHR (0.69) TSHRMEN1KMT2AHDAC8MMP8
SCHEMBL10315710 0.67 KMT2A (0.47) MEN1KMT2AHDAC6MMP1MMP3
SCHEMBL28908015 0.67 HDAC8 (0.55) MEN1KMT2AHDAC8HDAC6
Phenylacetic Acid SCHEMBL5282431 0.66 AKR1B1 (0.77) TSHRCA2
SCHEMBL339507 0.66 CES2 (0.56) MEN1KMT2AHDAC8HDAC6

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 11 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-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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 US disclosed
US-20060154988-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2006-07-13 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 (6 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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS TSHR 4122/4885MEN1 2414/4885KMT2A 4800/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS TSHR 4122/4885MEN1 2414/4885KMT2A 4800/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TSHR 4122/4885MEN1 2414/4885KMT2A 4800/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS TSHR 4122/4885MEN1 2414/4885KMT2A 4800/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TSHR 4122/4885MEN1 2414/4885KMT2A 4800/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS TSHR 4122/4885MEN1 2414/4885KMT2A 4800/4885

“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.