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Sugi Predict / Compounds / SCHEMBL1177948

SCHEMBL1177948

SCHEMBL1177948

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GAA P10253 1/20 0.37
▸ SLC6A3 Q01959 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PREP P48147 4/20 0.35
▸ AGTR2 P50052 1/20 0.35
▸ CCR1 P32246 2/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ GRIA2 P42262 1/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ PTGER4 P35408 2/20 0.33
▸ ACKR3 P25106 1/20 0.33

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
SCHEMBL12871956 0.87 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2SLC6A3PREPHRH3
SCHEMBL12871975 0.87 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2SLC6A3PREP
SCHEMBL1178145 0.86 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2GAAPREPAGTR2
SCHEMBL517331 0.83 MEN1 (0.52) ALDH1A1SMN1; SMN2KDM4EHRH3
SCHEMBL7601983 0.83 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2GAAKDM4EPREP
SCHEMBL1178296 0.81 KDM4E (0.38) ALDH1A1SLC6A3KDM4ECCR1PTGS2
SCHEMBL1178327 0.80 SLC6A3 (0.37) ALDH1A1SLC6A3KDM4EPREPPTGER4
SCHEMBL12872034 0.80 TDP1 (0.49) ALDH1A1KDM4E
SCHEMBL1178474 0.79 PTGS2 (0.57) PTGS2
SCHEMBL1178852 0.78 ACKR3 (0.41) PTGS2ACKR3

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 7 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
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 3690/4885GAA 402/4885

“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.