SCHEMBL1178145

SCHEMBL1178145

O=C(O)C(c1ccc(Cn2nc(C(F)(F)F)ccc2=O)cc1)C1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
AGTR2 P50052 1/20 0.40
GAA P10253 1/20 0.39
HRH3 Q9Y5N1 1/20 0.37
ALOX5 P09917 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PTGS2 P35354 1/20 0.36
PTGER4 P35408 3/20 0.36
CNR1 P21554 2/20 0.36
CNR2 P34972 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35
C3AR1 Q16581 1/20 0.35
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
PREP P48147 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL7601983 0.91 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2AGTR2GAAHRH3
SCHEMBL1177948 0.86 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2AGTR2GAAHRH3
SCHEMBL1080459 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HRH3ALOX5HDAC6
SCHEMBL1177732 0.84 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2AGTR2HRH3ALOX5
SCHEMBL516950 0.81 MEN1 (0.54) ALDH1A1SMN1; SMN2HRH3CNR1CNR2
SCHEMBL16457383 0.81 MEN1 (0.54) ALDH1A1SMN1; SMN2HRH3CNR1CNR2
Bicarbonate SCHEMBL3692775 0.80 PTGES (0.45) ALDH1A1SMN1; SMN2PTGS2
SCHEMBL3691465 0.80 PTGS2 (0.45) PTGS2
SCHEMBL1179153 0.80 PTGES (0.58) PTGS2
SCHEMBL1177947 0.79 PTGS2 (0.39) PTGS2PTGER4GCGR

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 ALDH1A1 379/4885SMN1; SMN2 3690/4885AGTR2 465/4885

“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.