SCHEMBL1109552

SCHEMBL1109552

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.47
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
LTA4H P09960 1/20 0.39
MMP1 P03956 1/20 0.38
MMP3 P08254 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC3 O15379 3/20 0.38
HDAC6 Q9UBN7 3/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 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
SCHEMBL1912297 0.99 PPARG (0.45) PPARGTHRATHRBLTA4HSIRT2
SCHEMBL1912201 0.96 PPARG (0.44) PPARGTHRATHRBLTA4HHDAC8
SCHEMBL1109476 0.92 PPARG (0.41) PPARGTHRATHRBLTA4HHDAC6
SCHEMBL461781 0.92 PPARG (0.47) PPARGTHRATHRBALDH1A1HPGD
SCHEMBL405993 0.91 PPARG (0.46) PPARGTHRATHRBALDH1A1HPGD
SCHEMBL1109127 0.88 ALDH1A1 (0.40) THRATHRBLTA4HSIRT2SIRT1
SCHEMBL1109356 0.88 PTPN1 (0.41) PPARGHDAC8HDAC3HDAC6HDAC1
SCHEMBL405237 0.88 PPARG (0.44) PPARGTHRATHRBALDH1A1HPGD
SCHEMBL1912164 0.87 PPARG (0.39) PPARGLTA4HHDAC6HDAC1ALDH1A1
SCHEMBL1912256 0.85 PTPN1 (0.43) PPARGHDAC6HDAC1ALDH1A1HPGD

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 PPARG 1875/4885THRA 3008/4885THRB 3138/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS PPARG 1875/4885THRA 3008/4885THRB 3138/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS PPARG 1875/4885THRA 3008/4885THRB 3138/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PPARG 1875/4885THRA 3008/4885THRB 3138/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PPARG 1875/4885THRA 3008/4885THRB 3138/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS PPARG 1875/4885THRA 3008/4885THRB 3138/4885

“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.