SCHEMBL3778656

SCHEMBL3778656

NC(=O)c1ccc(I)cc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 5/20 0.40
MAP2K2 P36507 4/20 0.40
CHEK1 O14757 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SCN9A Q15858 5/20 0.37
EPHX2 P34913 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.35
DGAT1 O75907 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
CTNNB1 P35222 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
MAPK8 P45983 1/20 0.34
CYP2C9 P11712 2/20 0.34
MAP2 P11137 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL3784022 0.81 SLC6A2 (0.46) CHEK1SCN9AEPHX2SLC6A2SLC6A4
SCHEMBL3784025 0.81 ALDH1A1 (0.45) CHEK1SCN9AEPHX2IRAK4DGAT1
SCHEMBL4441995 0.80 DGAT1 (0.54) MAP2K1MAP2K2CHEK1SCN9AEPHX2
SCHEMBL20541755 0.80 SCN9A (0.41) MAP2K1MAP2K2CHEK1SCN9AMAP2
SCHEMBL4638596 0.80 AVPR2 (0.47) MAP2
SCHEMBL2956919 0.76 HRH4 (0.40) CHEK1SCN9AIRAK4
SCHEMBL351860 0.75 CTNNB1 (0.55) SCN9AIRAK4CTNNB1CYP3A4
SCHEMBL29710969 0.75 CTNNB1 (0.55) SCN9AIRAK4CTNNB1CYP3A4
SCHEMBL4439765 0.74 CHUK (0.54)
Hydrochloric Acid SCHEMBL4379608 0.74 CTNNB1 (0.53) SCN9AIRAK4CTNNB1CYP3A4

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 14 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
EP-3302549-A1 COMBINATION THERAPY OF AN ANTI CD20 ANTIBODY WITH A BCL-2 INHIBITOR AND A MDM2 INHIBITOR H. Hoffnabb-La Roche Ag (CH) 2018-04-11 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
WO-2016188935-A1 COMBINATION THERAPY OF AN ANTI CD20 ANTIBODY WITH A BCL-2 INHIBITOR AND A MDM2 INHIBITOR F. HOFFMANN-LA ROCHE AG (CH) 2016-12-01 WO 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 MAP2K1 2611/4885MAP2K2 1817/4885CHEK1 1368/4885
US-20150211073-A1 MRNA-BASED GENE EXPRESSION FOR PERSONALIZING PATIENT CANCER THERAPY WITH AN MDM2 ANTAGONIST MDM2, TP53, TP53BP1 MAP2K1 2958/4885MAP2K2 2912/4885CHEK1 66/4885
US-20160347852-A1 Combination therapy of an anti-CD20 antibody with a Bcl-2 inhibitor and a MDM2 inhibitor BCL2L1, MCL1, CD22 MAP2K1 1422/4885MAP2K2 1135/4885CHEK1 949/4885

“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.