SCHEMBL498970

SCHEMBL498970

CCOC(=O)COC(CCN(C)C(=O)OC(C)(C)C)c1cc(Cl)ccc1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
AHCY P23526 1/20 0.34
GAA P10253 2/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
ALOX12 P18054 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR1 P03372 1/20 0.32
POLB P06746 1/20 0.32
ESR2 Q92731 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FDFT1 P37268 1/20 0.32
NLRP3 Q96P20 1/20 0.31
CYP1A2 P05177 1/20 0.31

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 0.85 MAPT (0.38) UTS2RAHCYGAAMAPTKDM4E
SCHEMBL499213 0.84 UTS2R (0.35) UTS2RAHCYGAAMAPTKDM4E
SCHEMBL498979 0.81 UTS2R (0.33) UTS2RALDH1A1AHCYGAAMAPT
SCHEMBL499588 0.80 IDO1 (0.39) UTS2RALDH1A1LMNAAHCYMAPT
SCHEMBL499662 0.80 MAPT (0.38) UTS2RALDH1A1LMNAAHCYGAA
SCHEMBL4756782 0.77 IDO1 (0.37) ALDH1A1LMNAAHCYMAPTHPGD
SCHEMBL4755389 0.77 ADORA1 (0.35) ALDH1A1LMNAGAAMAPTHPGD
SCHEMBL31462641 0.76 AHCY (0.37) ALDH1A1LMNAAHCYGAAMEN1
SCHEMBL4757403 0.70 MAPT (0.42) UTS2RALDH1A1LMNAGAAMAPT
SCHEMBL10254243 0.70 ADRB3 (0.38) ALDH1A1GAAMAPTPOLB

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 5 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-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
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 520/4885ALDH1A1 1991/4885LMNA 3400/4885

“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.