SCHEMBL1178321

SCHEMBL1178321

CC(C)(C)C(Cc1cccc(NC(=O)[C@H](c2ccc(Cn3cc(Cl)ccc3=O)cc2)C2CCCC2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.46
ACKR3 P25106 13/20 0.44
HTR1E P28566 3/20 0.41
S1PR3 Q99500 3/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL1177898 0.90 CYP1A2 (0.51) PTGESACKR3HTR1ES1PR3MAPT
Bicarbonate SCHEMBL3697013 0.86 PTGES (0.50) PTGESACKR3HTR1ES1PR3MAPT
Bicarbonate SCHEMBL3706404 0.86 PTGES (0.50) PTGESACKR3HTR1ES1PR3MAPT
SCHEMBL1178325 0.85 PTGES (0.45) PTGESACKR3HTR1ES1PR3MAPT
SCHEMBL3706314 0.85 PTGES (0.64) PTGESHTR1ES1PR3MAPTMEN1
SCHEMBL1178778 0.84 PTGES (0.45) PTGESACKR3HTR1ES1PR3MAPT
SCHEMBL3706401 0.83 PTGES (0.48) PTGESACKR3HTR1ES1PR3MAPT
SCHEMBL3697010 0.83 PTGES (0.48) PTGESACKR3HTR1ES1PR3MAPT
SCHEMBL1178322 0.83 PTGES (0.51) PTGESACKR3HTR1ES1PR3MAPT
SCHEMBL3692778 0.83 PTGES (0.44) PTGESACKR3HTR1ES1PR3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIEGESELLSCHAFT (DE) 2011-02-10 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-20110034450-A1 OXO-HETEROCYCLIC SUBSTITUTED CARBOXYLIC ACID DERIVATIVES AND THE USE THEREOF OTC, PC, HCAR2 PTGES 224/4885ACKR3 1783/4885HTR1E 4408/4885

“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.