SCHEMBL3704668

SCHEMBL3704668

O=C(O)CCc1cccc(NC(=O)[C@H](c2ccc(Cn3cc(C(F)(F)F)ccc3=O)cc2)C2CCCC2)c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.56
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.47
PTGS2 P35354 8/20 0.46
KMT2A Q03164 1/20 0.44
PPARG P37231 1/20 0.44
PPARD Q03181 1/20 0.44
PPARA Q07869 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
UBE2M P61081 1/20 0.43
DCUN1D1 Q96GG9 1/20 0.43
ACKR3 P25106 1/20 0.43

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
SCHEMBL13660732 1.00 PTGES (0.56) PTGESCYP1A2CYP3A4CYP2D6CYP2C9
Bicarbonate SCHEMBL3693253 0.90 CYP1A2 (0.53) PTGESCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1177899 0.90 CYP1A2 (0.50) PTGESCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3706314 0.89 PTGES (0.64) PTGESMAPTPTGS2KMT2A
SCHEMBL3699525 0.88 CYP1A2 (0.51) PTGESCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3693252 0.88 CYP1A2 (0.51) PTGESCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1177898 0.86 CYP1A2 (0.51) PTGESCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7604036 0.86 CYP1A2 (0.49) PTGESCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7601092 0.86 CYP1A2 (0.49) PTGESCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1177900 0.85 CYP1A2 (0.52) PTGESCYP1A2CYP3A4CYP2D6CYP2C9

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
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

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 224/4885CYP1A2 119/4885CYP3A4 210/4885

“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.