SCHEMBL1193791

SCHEMBL1193791

CC(C)C(C(=O)N[C@H]1CC[C@H](CCC(=O)O)CC1)c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.35
BACE1 P56817 1/20 0.34
ACKR3 P25106 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPY5R Q15761 1/20 0.32
FAAH O00519 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR3C2 P08235 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
DRD2 P14416 2/20 0.32
HTR2A P28223 2/20 0.32
DRD3 P35462 2/20 0.32
USP1 O94782 1/20 0.32

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
SCHEMBL3694157 1.00 LTA4H (0.35) LTA4HBACE1ACKR3HPGDTSHR
SCHEMBL1193793 1.00 LTA4H (0.35) LTA4HBACE1ACKR3HPGDTSHR
SCHEMBL1178010 0.93 HPGD (0.35) BACE1ACKR3HPGDTSHRALDH1A1
SCHEMBL1177677 0.93 HPGD (0.35) BACE1ACKR3HPGDTSHRALDH1A1
SCHEMBL1177679 0.93 HPGD (0.35) BACE1ACKR3HPGDTSHRALDH1A1
SCHEMBL1081295 0.92 BACE1 (0.34) LTA4HBACE1ACKR3HPGDTSHR
SCHEMBL3693933 0.89 BACE1 (0.34) BACE1ACKR3HPGDTSHRALDH1A1
SCHEMBL3696265 0.89 BACE1 (0.34) BACE1ACKR3HPGDTSHRALDH1A1
SCHEMBL3693796 0.88 C3AR1 (0.42) LTA4HKMT2A
SCHEMBL1194091 0.88 C3AR1 (0.42) LTA4HKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
US-8987256-B2 Oxo-heterocyclic substituted carboxylic acid derivatives and the use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
EP-2268625-B1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF Bayer Pharma AG (DE) 2012-05-16 EP disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 US disclosed
WO-2009127338-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-10-22 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 LTA4H 1114/4885BACE1 3975/4885ACKR3 1783/4885

“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.