SCHEMBL1109353

SCHEMBL1109353

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
PPARG P37231 2/20 0.45
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.43
CTDSP1 Q9GZU7 2/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CA2 P00918 2/20 0.42
CA1 P00915 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ECE1 P42892 1/20 0.40
GPR34 Q9UPC5 2/20 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
SCHEMBL405033 0.93 PPARG (0.43) PPARGNPSR1
SCHEMBL1912131 0.88 CA2 (0.53) CA2CA1ECE1
SCHEMBL404410 0.85 PPARG (0.54) SMN1; SMN2PPARGALDH1A1POLBCTDSP1
SCHEMBL402635 0.81 CA2 (0.50) CA2CA1
SCHEMBL1109514 0.81 PPARG (0.47) SMN1; SMN2PPARGALDH1A1POLBCTDSP1
SCHEMBL2874088 0.79 PPARG (0.57) SMN1; SMN2PPARGALDH1A1NPSR1
SCHEMBL2259874 0.79 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KDM4EECE1
SCHEMBL404358 0.78 NPSR1 (0.61) PPARGKMT2ANPSR1NPC1RAB9A
SCHEMBL1109322 0.75 NPC1 (0.54) ALDH1A1NPSR1CA2CA1TDP1
SCHEMBL255200 0.75 NPC1 (0.54) ALDH1A1NPSR1CA2CA1TDP1

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 10 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-7358359-B2 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2008-04-15 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 SMN1; SMN2 2296/4885PPARG 1875/4885ALDH1A1 782/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885PPARG 1875/4885ALDH1A1 782/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SMN1; SMN2 2296/4885PPARG 1875/4885ALDH1A1 782/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS SMN1; SMN2 2296/4885PPARG 1875/4885ALDH1A1 782/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS SMN1; SMN2 2296/4885PPARG 1875/4885ALDH1A1 782/4885

“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.