SCHEMBL1109288

SCHEMBL1109288

C[C@@H](O)[C@H](NC(=O)c1ccc(-c2cccc(F)c2)cc1)C(=O)NO

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.49
ANPEP P15144 4/20 0.47
MMP1 P03956 1/20 0.45
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
MMP7 P09237 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
DGAT1 O75907 1/20 0.42
ROCK1 Q13464 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
SCHEMBL13267171 0.89 HPGDS (0.51) HPGDSANPEPMMP1MMP2MMP3
SCHEMBL1109272 0.87 ANPEP (0.53) ANPEPDGAT1
SCHEMBL1109421 0.86 HPGDS (0.66) HPGDSANPEP
SCHEMBL1094977 0.86 ANPEP (0.44) ANPEPROCK1
SCHEMBL1109322 0.86 NPC1 (0.54) HPGDSROCK1
SCHEMBL403137 0.86 NPC1 (0.54) HPGDSROCK1
SCHEMBL255200 0.86 NPC1 (0.54) HPGDSROCK1
SCHEMBL14195919 0.86 NPC1 (0.54) HPGDSROCK1
SCHEMBL401135 0.86 NPC1 (0.54) HPGDSROCK1
SCHEMBL14195832 0.86 NPC1 (0.54) HPGDSROCK1

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 12 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-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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 (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 HPGDS 253/4885ANPEP 744/4885MMP1 1000/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS HPGDS 253/4885ANPEP 744/4885MMP1 1000/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS HPGDS 253/4885ANPEP 744/4885MMP1 1000/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HPGDS 253/4885ANPEP 744/4885MMP1 1000/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 HPGDS 205/4885ANPEP 735/4885MMP1 926/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS HPGDS 253/4885ANPEP 744/4885MMP1 1000/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS HPGDS 253/4885ANPEP 744/4885MMP1 1000/4885

“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.