SCHEMBL498979

SCHEMBL498979

Cc1ccc(Cl)cc1C(CCN(C)C(=O)OC(C)(C)C)OCCOS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.33
PDK2 Q15119 1/20 0.33
MAPT P10636 2/20 0.31
KAT6A Q92794 1/20 0.31
KAT5 Q92993 1/20 0.31
ALDH1A1 P00352 2/20 0.30
KDM4E B2RXH2 2/20 0.30
GAA P10253 2/20 0.30
AHCY P23526 1/20 0.30
PKM P14618 1/20 0.30
HPGD P15428 1/20 0.30
ALOX12 P18054 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL499150 0.87 MAPT (0.38) UTS2RPDK2MAPTKDM4EGAA
SCHEMBL499213 0.86 UTS2R (0.35) UTS2RPDK2MAPTKDM4EGAA
SCHEMBL499588 0.82 IDO1 (0.39) UTS2RMAPTALDH1A1KDM4EAHCY
SCHEMBL498970 0.81 UTS2R (0.34) UTS2RMAPTALDH1A1KDM4EGAA
SCHEMBL4756782 0.79 IDO1 (0.37) MAPTALDH1A1KDM4EAHCYHPGD
SCHEMBL499662 0.78 MAPT (0.38) UTS2RPDK2MAPTALDH1A1KDM4E
SCHEMBL4755910 0.78 KDM4E (0.33) MAPTALDH1A1KDM4EGAAPKM
SCHEMBL4757403 0.75 MAPT (0.42) UTS2RMAPTALDH1A1KDM4EGAA
SCHEMBL8561372 0.73 F2R (0.34) KAT6AKAT5ALDH1A1
SCHEMBL31462722 0.72 AOC3 (0.39) UTS2RPDK2KDM4EAHCY

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106221-B2 Renin inhibitors VITAE PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-20100144825-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-06-10 US disclosed
WO-2008156816-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2008-12-24 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-20100144825-A1 Renin Inhibitors ACE, REN, DNPEP UTS2R 520/4885PDK2 2610/4885MAPT 935/4885

“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.