SCHEMBL405993

SCHEMBL405993

CCCCCN(C)CC(=O)Nc1ccc(C#Cc2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL461781 0.99 PPARG (0.47) PPARGTHRATHRBALDH1A1HPGD
SCHEMBL405237 0.97 PPARG (0.44) PPARGTHRATHRBALDH1A1HPGD
SCHEMBL404902 0.94 PPARG (0.41) PPARGALDH1A1HPGD
SCHEMBL1912297 0.92 PPARG (0.45) PPARGTHRATHRBALDH1A1HPGD
SCHEMBL4870464 0.91 PPARG (0.41) PPARG
SCHEMBL1109552 0.91 PPARG (0.47) PPARGTHRATHRBALDH1A1HPGD
SCHEMBL436557 0.90 ALDH1A1 (0.41) ALDH1A1HPGD
SCHEMBL401072 0.90 PPARG (0.40) PPARG
SCHEMBL1912201 0.89 PPARG (0.44) PPARGTHRATHRBALDH1A1HPGD
SCHEMBL404404 0.88 PPARG (0.40) PPARGALDH1A1HPGD

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed
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-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 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-20060154988-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.