SCHEMBL403934

SCHEMBL403934

CC[C@@H](O)[C@H](NC(=O)c1ccc(C(=O)c2ccccc2)cc1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.64
ALDH1A1 P00352 3/20 0.64
SLC1A2 P43004 1/20 0.53
PPARG P37231 3/20 0.50
PPARA Q07869 2/20 0.50
CA2 P00918 5/20 0.48
CA1 P00915 3/20 0.48
NPSR1 Q6W5P4 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45
HPGD P15428 3/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44

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
SCHEMBL8877065 0.94 SLC1A2 (0.58) RAB9AALDH1A1SLC1A2PPARGPPARA
SCHEMBL10463610 0.94 SLC1A2 (0.58) RAB9AALDH1A1SLC1A2PPARGPPARA
SCHEMBL2873594 0.83 CA2 (0.62) RAB9AALDH1A1SLC1A2PPARGPPARA
SCHEMBL3021688 0.80 NPSR1 (0.49) RAB9AALDH1A1SLC1A2PPARGPPARA
SCHEMBL3927115 0.80 RAB9A (0.57) RAB9AALDH1A1SLC1A2PPARGPPARA
SCHEMBL21274409 0.80 SLC1A2 (0.60) RAB9AALDH1A1SLC1A2PPARGPPARA
SCHEMBL21274408 0.80 SLC1A2 (0.60) RAB9AALDH1A1SLC1A2PPARGPPARA
SCHEMBL22687175 0.78 CA2 (0.68) RAB9AALDH1A1SLC1A2PPARGPPARA
SCHEMBL2377937 0.78 CA2 (0.68) RAB9AALDH1A1SLC1A2PPARGPPARA
SCHEMBL10664012 0.78 CA2 (0.68) RAB9AALDH1A1SLC1A2PPARGPPARA

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 7 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-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
EP-2295402-A2 Antibacterial agents The University of Washington (US) 2011-03-16 EP 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 (2 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-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS RAB9A 557/4885ALDH1A1 782/4885SLC1A2 3933/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS RAB9A 557/4885ALDH1A1 782/4885SLC1A2 3933/4885

“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.