SCHEMBL2152197

SCHEMBL2152197

CCC(CC)=C(C(=O)OC)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TET2 Q6N021 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
TSHR P16473 3/20 0.35
TDP1 Q9NUW8 2/20 0.33
FFAR3 O14843 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
GAA P10253 3/20 0.32
MGAM O43451 2/20 0.32
SI P14410 2/20 0.32
MGAM2 Q2M2H8 2/20 0.32
HSD17B10 Q99714 1/20 0.32
SOAT1 P35610 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL27895680 0.87 EGLN1 (0.37) ALDH1A1TET2EGLN1TSHRFFAR3
SCHEMBL21378214 0.79 ALDH1A1 (0.40) ALDH1A1TET2EGLN1TSHRTDP1
SCHEMBL15913279 0.76 ALDH1A1 (0.42) ALDH1A1TET2EGLN1TSHRTDP1
SCHEMBL11377438 0.76 SOAT1 (0.48) ALDH1A1EGLN1TSHRGAAMGAM
SCHEMBL7941633 0.76 ALDH1A1 (0.42) ALDH1A1TET2EGLN1TSHRTDP1
SCHEMBL10797814 0.75 ALDH1A1 (0.50) ALDH1A1TET2EGLN1TSHRTDP1
SCHEMBL8513872 0.74 ALDH1A1 (0.35) ALDH1A1TET2EGLN1TSHRTDP1
SCHEMBL9640782 0.74 ALDH1A1 (0.35) ALDH1A1TET2EGLN1TSHRTDP1
SCHEMBL22817315 0.72 CES2 (0.48) ALDH1A1TSHRTDP1HSD17B10MEN1
SCHEMBL15913508 0.72 ALDH1A1 (0.40) ALDH1A1TET2EGLN1TDP1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
CN-102753522-B Substituted pyrrolidine-2-carboxamides HOFFMANN LA ROCHE 2013-11-27 CN disclosed
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US disclosed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP disclosed
EP-2340021-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2012-11-07 EP disclosed
WO-2011098398-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2011-08-18 WO disclosed
EP-2340021-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2011-07-06 EP disclosed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US disclosed
WO-2010031713-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2010-03-25 WO disclosed
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides DING QINGJIE 2010-03-25 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 (2 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-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 ALDH1A1 2027/4885TET2 1167/4885EGLN1 338/4885
US-20100075948-A1 Substituted Pyrrolidine-2-Carboxamides ARG2, CCNY, PYCR1 ALDH1A1 2027/4885TET2 1167/4885EGLN1 338/4885

“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.