SCHEMBL206739

SCHEMBL206739

CN(CCc1ccc(C(=O)O)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.52
LTB4R2 Q9NPC1 7/20 0.52
MLYCD O95822 2/20 0.51
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
HPGD P15428 1/20 0.49
NR4A1 P22736 1/20 0.48
NR4A2 P43354 1/20 0.48
NR4A3 Q92570 1/20 0.48
LPAR1 Q92633 1/20 0.47
LPAR5 Q9H1C0 1/20 0.47
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46
ABCC1 P33527 1/20 0.46
RXRA P19793 2/20 0.46

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
SCHEMBL13181407 0.91 LTB4R (0.56) LTB4RLTB4R2MLYCDALDH1A1MAPT
SCHEMBL206963 0.89 LTB4R (0.50) LTB4RLTB4R2MLYCDALDH1A1MAPT
SCHEMBL23291183 0.89 LTB4R (0.54) LTB4RLTB4R2MLYCDALDH1A1OPRM1
SCHEMBL3863448 0.86 LTB4R (0.52) LTB4RLTB4R2MLYCDALDH1A1MAPT
SCHEMBL13683271 0.86 LTB4R (0.52) LTB4RLTB4R2MLYCDALDH1A1OPRM1
SCHEMBL206007 0.86 CHRNB2 (0.53) ALDH1A1MAPTHPGDNR4A1NR4A2
SCHEMBL3859118 0.84 LTB4R (0.50) LTB4RLTB4R2MLYCDALDH1A1OPRM1
SCHEMBL8233693 0.84 LTB4R (0.50) LTB4RLTB4R2MLYCDALDH1A1OPRM1
SCHEMBL7367495 0.83 ALDH1A1 (0.58) ALDH1A1MAPTHPGD
SCHEMBL14357352 0.83 LTB4R (0.52) LTB4RLTB4R2MLYCDOPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101998959-B Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARM INC 2013-08-28 CN disclosed
US-8088760-B2 Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) BIOMARIN PHARMACEUTICAL INC. (US) 2012-01-03 US disclosed
CN-101998959-A Benzoxazole carboxamide inhibitors of poly(ADP-ribose)polymerase (PARP) LEAD THERAPEUTICS INC 2011-03-30 CN disclosed
EP-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed
US-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-06 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 (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-20090197863-A1 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) PARP1, PARP2, PARP11 LTB4R 2344/4885LTB4R2 2675/4885MLYCD 1675/4885

“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.