SCHEMBL10286232

SCHEMBL10286232

COCCNCc1ccc(-c2ccc(C(=O)N[C@H](C(=O)NO)[C@@H](C)O)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKD1 Q15139 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
PPARG P37231 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
HDAC1 Q13547 2/20 0.41
CHEK1 O14757 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
SCHEMBL1109576 0.94 HDAC6 (0.50) PRKD1PPARGTBK1HDAC6ALDH1A1
SCHEMBL403780 0.90 ACACB (0.44) L3MBTL1PPARG
SCHEMBL13267298 0.90 PRKD1 (0.46) PRKD1L3MBTL1PPARGTBK1HDAC6
SCHEMBL1109573 0.89 MCHR1 (0.49) PPARGHDAC6ALDH1A1LMNACYP1A2
SCHEMBL1109570 0.89 PPARG (0.45) L3MBTL1PPARGHDAC6ALDH1A1LMNA
SCHEMBL1912267 0.88 HDAC1 (0.47) PPARGALDH1A1LMNACYP1A2ALOX15
SCHEMBL1109450 0.87 PPARG (0.48) PPARGHDAC6HDAC1
SCHEMBL1109579 0.87 MCHR1 (0.42) PPARGHDAC6ALDH1A1LMNACYP1A2
SCHEMBL1109512 0.86 PPARG (0.44) PPARGHDAC6ALDH1A1LMNACYP1A2
SCHEMBL1109422 0.86 HRH4 (0.52) PPARGLMNACYP1A2CYP2C19HDAC1

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 PRKD1 4371/4885L3MBTL1 2665/4885PPARG 1875/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS PRKD1 4371/4885L3MBTL1 2665/4885PPARG 1875/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS PRKD1 4371/4885L3MBTL1 2665/4885PPARG 1875/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PRKD1 4371/4885L3MBTL1 2665/4885PPARG 1875/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS PRKD1 4371/4885L3MBTL1 2665/4885PPARG 1875/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS PRKD1 4371/4885L3MBTL1 2665/4885PPARG 1875/4885

“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.