SCHEMBL10176573

SCHEMBL10176573

CC(CCCCC(=O)OC(C)(C)C)NC(=O)C(c1ccc(CN2N=C(c3ccccc3)OCC2=O)cc1)C1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
C3AR1 Q16581 5/20 0.32
KMT2A Q03164 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
REN P00797 2/20 0.32
P2RY12 Q9H244 2/20 0.32
MEN1 O00255 1/20 0.32
HTR4 Q13639 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
SCHEMBL517153 1.00 PTGES (0.33) PTGESSMN1; SMN2C3AR1KMT2AL3MBTL1
SCHEMBL517327 0.91 PTGES (0.39) PTGESSMN1; SMN2C3AR1
SCHEMBL517645 0.91 PTGES (0.39) PTGESSMN1; SMN2C3AR1
SCHEMBL517806 0.88 P4HB (0.32) PTGES
Bicarbonate SCHEMBL16457191 0.87 FAAH (0.34) PTGESSMN1; SMN2C3AR1KMT2AMEN1
SCHEMBL517193 0.84 PTGES (0.33) PTGESSMN1; SMN2C3AR1KMT2AMEN1
SCHEMBL517807 0.84 PTGES (0.31) PTGESSMN1; SMN2C3AR1
SCHEMBL517046 0.83 CYP3A4 (0.36) KMT2AL3MBTL1
SCHEMBL517076 0.82 TDP1 (0.43) PTGESC3AR1
SCHEMBL1178437 0.82 PTGES (0.45) PTGES

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
EP-2406215-B1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2014-04-16 EP disclosed
EP-2406215-B1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER IP GMBH (DE) 2014-04-16 EP disclosed
US-8642592-B2 Oxo-heterocyclically substituted alkyl carboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-8642592-B2 Oxo-heterocyclically substituted alkyl carboxylic acids and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-04 US disclosed
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 US disclosed
US-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-02 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-20120028971-A1 OXO-HETEROCYCLICALLY SUBSTITUTED ALKYL CARBOXYLIC ACIDS AND USE THEREOF AADAC, OTC, HCAR2 PTGES 208/4885SMN1; SMN2 3212/4885C3AR1 851/4885

“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.