SCHEMBL3778671

SCHEMBL3778671

CC(C)(C(N)=O)c1ccc(C(N)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.63
MAPT P10636 2/20 0.63
EPHX2 P34913 1/20 0.49
NR1H4 Q96RI1 1/20 0.49
PARP10 Q53GL7 5/20 0.47
PARP1 P09874 3/20 0.47
CA2 P00918 3/20 0.47
PARP4 Q9UKK3 2/20 0.47
CA1 P00915 2/20 0.47
PARP2 Q9UGN5 1/20 0.47
ESRRG P62508 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL3808758 0.88 KMT2A (0.50) KMT2AMAPTEPHX2NR1H4PARP10
SCHEMBL3637376 0.85 KMT2A (0.67) KMT2AMAPTEPHX2NR1H4CA2
SCHEMBL31510753 0.85 KMT2A (0.50) KMT2AMAPTEPHX2NR1H4PARP10
SCHEMBL5936056 0.82 MAPT (0.68) KMT2AMAPTEPHX2NR1H4CA2
SCHEMBL27989128 0.82 EPHX2 (0.51) KMT2AMAPTEPHX2NR1H4PARP10
SCHEMBL284242 0.82 EPHX2 (0.66) KMT2AMAPTEPHX2NR1H4PARP10
SCHEMBL17806562 0.81 EPHX2 (0.60) KMT2AMAPTEPHX2NR1H4CA2
SCHEMBL23582988 0.80 PARP10 (0.50) KMT2AMAPTEPHX2NR1H4PARP10
SCHEMBL3785596 0.80 EPHX2 (0.47) KMT2AMAPTEPHX2NR1H4PARP10
Hydrochloric Acid SCHEMBL5012511 0.80 EPHX2 (0.64) KMT2AMAPTEPHX2NR1H4PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354444-B2 Substituted pyrrolidine-2-carboxamides HOFFMANN-LA ROCHE INC. (US) 2013-01-15 US claimed
EP-2534132-A1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES F. Hoffmann-La Roche AG (CH) 2012-12-19 EP claimed
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 US claimed
CN-107847600-B Combination therapy of anti-CD 20 antibodies with Bcl-2 inhibitors and MDM2 inhibitors 豪夫迈·罗氏有限公司 2021-09-03 CN disclosed
EP-3302549-B1 COMBINATION THERAPY OF AN ANTI CD20 ANTIBODY WITH A BCL-2 INHIBITOR AND A MDM2 INHIBITOR HOFFMANN LA ROCHE (CH) 2019-07-03 EP disclosed
US-9657351-B2 MRNA-based gene expression for personalizing patient cancer therapy with an MDM2 antagonist HOFFMAN-LA ROCHE INC. (US) 2017-05-23 US disclosed
EP-2534132-B1 SUBSTITUTED PYRROLIDINE-2-CARBOXAMIDES HOFFMANN LA ROCHE (CH) 2017-04-26 EP disclosed
US-20160347852-A1 Combination therapy of an anti-CD20 antibody with a Bcl-2 inhibitor and a MDM2 inhibitor HOFFMANN-LA ROCHE INC. (US) 2016-12-01 US disclosed
US-20150211073-A1 MRNA-BASED GENE EXPRESSION FOR PERSONALIZING PATIENT CANCER THERAPY WITH AN MDM2 ANTAGONIST HOFFMANN-LA ROCHE INC. 2015-07-30 US 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
US-20100152190-A1 Substituted Pyrrolidine-2-Carboxamides F. HOFFMANN-LA ROCHE AG (CH) 2010-06-17 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 (3 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 KMT2A 703/4885MAPT 4475/4885EPHX2 2619/4885
US-20150211073-A1 MRNA-BASED GENE EXPRESSION FOR PERSONALIZING PATIENT CANCER THERAPY WITH AN MDM2 ANTAGONIST MDM2, TP53, TP53BP1 KMT2A 829/4885MAPT 3662/4885EPHX2 4515/4885
US-20160347852-A1 Combination therapy of an anti-CD20 antibody with a Bcl-2 inhibitor and a MDM2 inhibitor BCL2L1, MCL1, CD22 KMT2A 550/4885MAPT 2546/4885EPHX2 3535/4885

“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.