SCHEMBL991972

SCHEMBL991972

CN(CCc1ccc(N=C=O)cc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
MCHR1 Q99705 1/20 0.41
KMT2A Q03164 1/20 0.41
LTB4R Q15722 3/20 0.38
LTB4R2 Q9NPC1 3/20 0.38
CYP1A2 P05177 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
P2RY6 Q15077 1/20 0.37
MLYCD O95822 1/20 0.37
ESRRG P62508 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
NPY5R Q15761 1/20 0.36

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
SCHEMBL991076 0.80 CYP3A4 (0.41) CYP3A4TSHRMCHR1LTB4RLTB4R2
SCHEMBL2476773 0.78 MMP2 (0.43) TSHRKMT2A
SCHEMBL1936138 0.76 LTB4R (0.43) MCHR1KMT2ALTB4RLTB4R2HRH3
SCHEMBL8758089 0.76 ESRRG (0.56) MCHR1KMT2ALTB4RLTB4R2HRH3
SCHEMBL4802898 0.76 GFER (0.48) MCHR1KMT2ALTB4RLTB4R2HRH3
SCHEMBL28015584 0.76 TSHR (0.63) CYP3A4TSHRCYP1A2HRH3P2RY6
SCHEMBL1520363 0.76 KMT2A (0.59) KMT2ALTB4RLTB4R2MLYCDNPC1
SCHEMBL1935603 0.76 LTB4R (0.42) MCHR1KMT2ALTB4RLTB4R2HRH3
SCHEMBL733010 0.75 CYP3A4 (0.74) CYP3A4TSHRCYP1A2P2RY6CA12
SCHEMBL2479940 0.74 KDM4E (0.44) KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373694-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS BioMarin Pharmaceutical Inc. (US) 2011-10-12 EP disclosed
US-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2011-01-20 US disclosed
WO-2010065174-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS LEAD THERAPEUTICS, INC. (US) 2010-06-10 WO 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 (1 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-20110015119-A1 NOVEL SEMI-SYNTHETIC GLYCOPEPTIDES AS ANTIBACTERIAL AGENTS SI, FUT6, B3GAT3 CYP3A4 324/4885TSHR 3307/4885MCHR1 3562/4885

“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.