SCHEMBL404415

SCHEMBL404415

CCOc1cccc(-c2ccc(CNC(C(=O)NO)C(C)O)cc2)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
SLC13A5 Q86YT5 1/20 0.45
FFAR1 O14842 1/20 0.43
MEP1B Q16820 2/20 0.43
NR1H4 Q96RI1 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
DHODH Q02127 1/20 0.42
ACACB O00763 1/20 0.42
ACACA Q13085 1/20 0.42
ROCK2 O75116 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ROCK1 Q13464 1/20 0.41
SMPD1 P17405 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
FGFR1 P11362 1/20 0.40
MMP2 P08253 1/20 0.40

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
SCHEMBL402962 0.89 MEN1 (0.44) NR1H4ACACBACACAMMP2
SCHEMBL399631 0.83 RXRA (0.56) RXRARXRBACACBACACAROCK2
SCHEMBL10286655 0.83 RXRA (0.56) RXRARXRBACACBACACAROCK2
SCHEMBL399832 0.82 ALDH1A1 (0.52) MEP1BCYP2D6HDAC6
SCHEMBL404304 0.82 ALDH1A1 (0.52) MEP1BCYP2D6HDAC6
SCHEMBL399676 0.82 ALDH1A1 (0.52) MEP1BCYP2D6HDAC6
SCHEMBL12064314 0.82 ALDH1A1 (0.52) MEP1BCYP2D6HDAC6
SCHEMBL402593 0.79 BACE1 (0.47) MEP1BHDAC6
SCHEMBL400966 0.77 HDAC1 (0.42) SMN1; SMN2ACACBACACAHDAC6MMP2
SCHEMBL403825 0.77 MMP2 (0.52) MEP1BMMP2

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 28 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-8101640-B2 Antibacterial agents NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2012-01-24 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-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-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-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-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-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-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 (4 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 RXRA 3577/4885RXRB 3721/4885SLC13A5 2051/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS RXRA 3577/4885RXRB 3721/4885SLC13A5 2051/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS RXRA 3577/4885RXRB 3721/4885SLC13A5 2051/4885
US-20060154988-A1 Antibacterial agents MRPL21, SI, PGLS RXRA 3577/4885RXRB 3721/4885SLC13A5 2051/4885

“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.