SCHEMBL1109199

SCHEMBL1109199

COC(=O)[C@H](CN)NC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 2/20 0.59
RAB9A P51151 4/20 0.54
GAA P10253 1/20 0.54
NPC1 O15118 3/20 0.54
HPGDS O60760 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CYP3A4 P08684 1/20 0.52
RPS6KA5 O75582 2/20 0.51
AKT1 P31749 2/20 0.51
GSK3B P49841 2/20 0.51
NEK4 P51957 2/20 0.51
PRKCD Q05655 2/20 0.51
PRKG2 Q13237 2/20 0.51
ROCK1 Q13464 2/20 0.51
PRKG1 Q13976 2/20 0.51
PKN2 Q16513 2/20 0.51
CLK4 Q9HAZ1 2/20 0.51
MAPK13 O15264 1/20 0.51
DYRK3 O43781 1/20 0.51
ROCK2 O75116 1/20 0.51

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
SCHEMBL7448810 0.92 GAA (0.54) CYP26A1RAB9AGAAALDH1A1CTSB
SCHEMBL7448811 0.92 GAA (0.54) CYP26A1RAB9AGAAALDH1A1CTSB
SCHEMBL13267007 0.86 TAS1R3 (0.53) CYP26A1RAB9AGAAF2F10
SCHEMBL404522 0.86 GAA (0.53) CYP26A1RAB9AGAA
Hydrochloric Acid SCHEMBL5926809 0.85 CYP26A1 (0.46) CYP26A1RAB9AGAANPC1CYP3A4
SCHEMBL14755268 0.84 CYP26A1 (0.58) CYP26A1RAB9AGAANPC1HPGDS
SCHEMBL3016958 0.84 GAA (0.51) CYP26A1RAB9AGAATAS1R3TAS1R1
SCHEMBL3016953 0.84 GAA (0.51) CYP26A1RAB9AGAATAS1R3TAS1R1
SCHEMBL14224364 0.82 NPC1 (0.54) RAB9AGAANPC1HPGDSALDH1A1
SCHEMBL14733433 0.81 GAA (0.67) CYP26A1RAB9AGAAALDH1A1CDK2

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 12 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-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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
WO-2008154642-A2 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2008-12-18 WO disclosed
US-20080269221-A1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2008-10-30 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 (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 CYP26A1 176/4885RAB9A 557/4885GAA 79/4885
US-20090247506-A1 Antibacterial agents MRPL21, SI, PGLS CYP26A1 176/4885RAB9A 557/4885GAA 79/4885
US-20110172174-A1 Antibacterial agents MRPL21, SI, PGLS CYP26A1 176/4885RAB9A 557/4885GAA 79/4885
US-20080269221-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CYP26A1 176/4885RAB9A 557/4885GAA 79/4885
US-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 CYP26A1 159/4885RAB9A 509/4885GAA 70/4885
US-20090163496-A1 ANTIBACTERIAL AGENTS MRPL21, SI, PGLS CYP26A1 176/4885RAB9A 557/4885GAA 79/4885
US-20100324025-A1 Antibacterial Agents MRPL21, SI, PGLS CYP26A1 176/4885RAB9A 557/4885GAA 79/4885

“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.