SCHEMBL1194093

SCHEMBL1194093

O=C(O)CCC1CCC(NC(=O)C(c2ccc(CN3N=C(c4ccccc4)OCC3=O)cc2)C2CCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 14/20 0.42
PTGES O14684 3/20 0.38
KMT2A Q03164 1/20 0.37
LTA4H P09960 1/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL1194091 1.00 C3AR1 (0.42) C3AR1PTGESKMT2ALTA4HPTGS2
SCHEMBL3693796 1.00 C3AR1 (0.42) C3AR1PTGESKMT2ALTA4HPTGS2
SCHEMBL1177782 0.93 C3AR1 (0.40) C3AR1KMT2A
SCHEMBL1177785 0.93 C3AR1 (0.40) C3AR1KMT2A
SCHEMBL1178118 0.93 C3AR1 (0.40) C3AR1KMT2A
SCHEMBL1193476 0.92 C3AR1 (0.40) C3AR1PTGESKMT2A
Bicarbonate SCHEMBL3693977 0.90 C3AR1 (0.45) C3AR1KMT2A
SCHEMBL1194163 0.89 C3AR1 (0.42) C3AR1
SCHEMBL12872154 0.89 C3AR1 (0.42) C3AR1
SCHEMBL1194161 0.89 C3AR1 (0.42) C3AR1

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 2 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-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 C3AR1 1349/4885PTGES 224/4885KMT2A 2766/4885

“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.