SCHEMBL460110

SCHEMBL460110

C[C@@H](O)[C@H](NC(=O)c1ccc(C#Cc2ccc(NCc3ccc(F)cc3)nc2)cc1)C(=O)NO

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
CXCR1 P25024 1/20 0.43
CXCR2 P25025 1/20 0.43
ACACB O00763 2/20 0.42
GABRA5 P31644 1/20 0.41

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
SCHEMBL399828 0.91 ACACB (0.48) ACACB
SCHEMBL1912142 0.89 DGAT1 (0.51) ALDH1A1CXCR1CXCR2GABRA5
SCHEMBL404376 0.86
SCHEMBL403983 0.84
SCHEMBL404293 0.84
SCHEMBL403202 0.82 PPARG (0.48) ACACB
SCHEMBL401434 0.81 CXCR4 (0.43) ALDH1A1
SCHEMBL404860 0.81
SCHEMBL405365 0.80 ACACB (0.46) ACACB
SCHEMBL13244803 0.80

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 21 patents — showing the first 20. 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-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-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-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-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-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-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-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
US-20070244197-A1 Antibacterial agents UNIVERSITY OF WASHINGTON (US) 2007-10-18 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 (7 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 ALDH1A1 782/4885CXCR1 1607/4885CXCR2 1460/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885CXCR1 1607/4885CXCR2 1460/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885CXCR1 1607/4885CXCR2 1460/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885CXCR1 1607/4885CXCR2 1460/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS ALDH1A1 782/4885CXCR1 1607/4885CXCR2 1460/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS ALDH1A1 782/4885CXCR1 1607/4885CXCR2 1460/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS ALDH1A1 782/4885CXCR1 1607/4885CXCR2 1460/4885

“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.