SCHEMBL1109082

SCHEMBL1109082

CCc1ccc(-c2ccc(C(=O)NC(C(=O)NO)C(C)N)cc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
TAOK1 Q7L7X3 3/20 0.46
TAOK3 Q9H2K8 2/20 0.46
PPARG P37231 1/20 0.46
PLK1 P53350 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGDS O60760 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
SCHEMBL14034030 1.00 TAS1R3 (0.49) TAS1R3TAS1R1LMNAALDH1A1TAOK1
SCHEMBL12361258 1.00 TAS1R3 (0.49) TAS1R3TAS1R1LMNAALDH1A1TAOK1
SCHEMBL404621 1.00 TAS1R3 (0.49) TAS1R3TAS1R1LMNAALDH1A1TAOK1
SCHEMBL13267495 0.96 TAS1R3 (0.52) TAS1R3TAS1R1LMNAALDH1A1PPARG
SCHEMBL13984720 0.90 HDAC6 (0.53) PPARGHPGDS
SCHEMBL13267492 0.90 PPARG (0.44) LMNAALDH1A1PPARGNPC1RAB9A
SCHEMBL13267300 0.90 PPARG (0.44) LMNAALDH1A1PPARGNPC1RAB9A
SCHEMBL1109293 0.89 PPARG (0.57) TAS1R3TAS1R1LMNAALDH1A1TAOK1
SCHEMBL400177 0.88 TAS1R3 (0.50) TAS1R3TAS1R1LMNAALDH1A1TAOK1
SCHEMBL13267026 0.88 PPARG (0.43) LMNAALDH1A1PPARGNPC1RAB9A

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-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

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-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS TAS1R3 4169/4885TAS1R1 3477/4885LMNA 3397/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS TAS1R3 4169/4885TAS1R1 3477/4885LMNA 3397/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TAS1R3 4169/4885TAS1R1 3477/4885LMNA 3397/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS TAS1R3 4169/4885TAS1R1 3477/4885LMNA 3397/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS TAS1R3 4169/4885TAS1R1 3477/4885LMNA 3397/4885

“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.