SCHEMBL1109196

SCHEMBL1109196

CNCC(=O)Nc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.45
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
CA2 P00918 2/20 0.40
CA1 P00915 1/20 0.40
PPARG P37231 1/20 0.40
ADAM17 P78536 1/20 0.39
HDAC1 Q13547 1/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL404684 0.90
SCHEMBL1109367 0.90 PTPN1 (0.44) PTPN1POLBCTDSP1CA2CA1
SCHEMBL13659666 0.89 PTPN1 (0.40) PTPN1POLBCTDSP1CA2CA1
SCHEMBL1912145 0.89 PTPN1 (0.43) PTPN1POLBCTDSP1PPARGHDAC1
SCHEMBL1912101 0.88 MEN1 (0.47) PTPN1POLBPPARGHDAC1ALDH1A1
SCHEMBL401654 0.88 PPARG (0.39) PPARG
SCHEMBL1912194 0.88 PTPN1 (0.42) PTPN1POLBCTDSP1PPARGADAM17
SCHEMBL1109210 0.88 PTPN1 (0.45) PTPN1POLBCTDSP1PPARGADAM17
SCHEMBL1109251 0.87 PTPN1 (0.46) PTPN1CA2CA1PPARGHDAC1
SCHEMBL1912129 0.87 ALDH1A1 (0.51) PTPN1POLBCTDSP1HDAC1ALDH1A1

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-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 (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-20070244197-A1 Antibacterial agents MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS PTPN1 2974/4885POLB 640/4885CTDSP1 1015/4885

“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.