SCHEMBL3787301

SCHEMBL3787301

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.47
NR1H4 Q96RI1 1/20 0.47
POLB P06746 2/20 0.42
ESRRG P62508 3/20 0.39
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
PDK1 Q15118 1/20 0.39
PDK2 Q15119 1/20 0.39
PDK3 Q15120 1/20 0.39
PDK4 Q16654 1/20 0.39
QPCT Q16769 1/20 0.38
CHUK O15111 1/20 0.38
INSR P06213 1/20 0.38
MAPK8 P45983 1/20 0.38
CAMKK2 Q96RR4 1/20 0.38

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
SCHEMBL3787306 0.85 ESRRG (0.43) EPHX2POLBESRRGALDH1A1MAPT
SCHEMBL3000921 0.79 POLB (0.58) EPHX2NR1H4POLBALDH1A1MAPK1
SCHEMBL14236757 0.79 POLB (0.39) POLBSMN1; SMN2MAPTHTTPDK1
SCHEMBL22185075 0.77 POLB (0.50) POLBMAPTHTTHDAC3HDAC4
SCHEMBL3785596 0.76 EPHX2 (0.47) EPHX2NR1H4POLBESRRGALDH1A1
SCHEMBL2793990 0.73 DPP4 (0.49) EPHX2NR1H4POLBALDH1A1SMN1; SMN2
SCHEMBL29027759 0.73 POLB (0.64) POLBALDH1A1MAPK1HDAC3HDAC4
SCHEMBL3808758 0.72 KMT2A (0.50) EPHX2NR1H4POLBESRRGALDH1A1
SCHEMBL3778671 0.71 KMT2A (0.63) EPHX2NR1H4POLBESRRGALDH1A1
SCHEMBL31510753 0.70 KMT2A (0.50) EPHX2NR1H4POLBESRRGALDH1A1

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 9 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
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
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
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 EPHX2 2619/4885NR1H4 3323/4885POLB 883/4885
US-20150211073-A1 MRNA-BASED GENE EXPRESSION FOR PERSONALIZING PATIENT CANCER THERAPY WITH AN MDM2 ANTAGONIST MDM2, TP53, TP53BP1 EPHX2 4515/4885NR1H4 2551/4885POLB 465/4885
US-20160347852-A1 Combination therapy of an anti-CD20 antibody with a Bcl-2 inhibitor and a MDM2 inhibitor BCL2L1, MCL1, CD22 EPHX2 3535/4885NR1H4 3076/4885POLB 3867/4885

“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.