SCHEMBL3782563

SCHEMBL3782563

CC1(N)CCN(S(C)(=O)=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NEK2 P51955 1/20 0.43
CYP2C9 P11712 7/20 0.42
CYP3A4 P08684 5/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP1A2 P05177 4/20 0.41
ALDH1A1 P00352 4/20 0.41
USP2 O75604 3/20 0.41
HPGD P15428 3/20 0.41
HIF1A Q16665 2/20 0.41
CYP2C19 P33261 7/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.35

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
SCHEMBL7603407 0.80 CYP2D6 (0.47) CYP2D6SMN1; SMN2NEK2CYP2C9CYP3A4
SCHEMBL14417816 0.79 POLB (0.38) HSD17B10ALDH1A1TSHRALOX15MAPK1
SCHEMBL18155849 0.76 CYP2D6 (0.44) CYP2D6SMN1; SMN2NEK2CYP2C9CYP3A4
SCHEMBL25908413 0.76 CYP2D6 (0.44) CYP2D6SMN1; SMN2NEK2CYP2C9CYP3A4
SCHEMBL25723117 0.76 CYP2D6 (0.44) CYP2D6SMN1; SMN2NEK2CYP2C9CYP3A4
SCHEMBL17970231 0.76 ALDH1A1 (0.44) CYP2D6SMN1; SMN2NEK2CYP2C9CYP3A4
SCHEMBL23345002 0.76 CYP2D6 (0.44) CYP2D6SMN1; SMN2NEK2CYP2C9CYP3A4
SCHEMBL5217778 0.76 HRH3 (0.35) CYP2D6SMN1; SMN2CYP2C19
SCHEMBL23995668 0.76 CYP2D6 (0.41) CYP2D6SMN1; SMN2NEK2CYP2C9CYP3A4
SCHEMBL27561659 0.76 NEK2 (0.43) CYP2D6SMN1; SMN2NEK2CYP2C9CYP3A4

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 20 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-117858879-A CDK2/4/6 inhibitor and preparation method and application thereof 南京再明医药有限公司 2024-04-09 CN disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-11-16 US disclosed
US-20230257394-A1 CDK Inhibitors And Their Use As Pharmaceuticals PRELUDE THERAPEUTICS INCORPORATED 2023-08-17 US disclosed
WO-2023150612-A1 CDK INHIBITORS AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPEUTICS, INCORPORATED (US) 2023-08-10 WO disclosed
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
WO-2013007768-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF AS JAK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO 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
US-7268150-B2 2-cyano-4-fluoropyrrolidine derivative or its salt YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-11 US disclosed
US-7268150-B2 2-cyano-4-fluoropyrrolidine derivative or its salt YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-11 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 (5 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 CYP2D6 954/4885SMN1; SMN2 2109/4885NEK2 1006/4885
US-20150211073-A1 MRNA-BASED GENE EXPRESSION FOR PERSONALIZING PATIENT CANCER THERAPY WITH AN MDM2 ANTAGONIST MDM2, TP53, TP53BP1 CYP2D6 2078/4885SMN1; SMN2 2342/4885NEK2 870/4885
US-20230365605-A1 BICYCLIC HETEROARYL COMPOUNDS AND USES THEREOF SOST, SOS1, SOS2 CYP2D6 1282/4885SMN1; SMN2 432/4885NEK2 1284/4885
US-20230257394-A1 CDK Inhibitors And Their Use As Pharmaceuticals CDK6, CDK1, CDK3 CYP2D6 618/4885SMN1; SMN2 1955/4885NEK2 138/4885
US-20160347852-A1 Combination therapy of an anti-CD20 antibody with a Bcl-2 inhibitor and a MDM2 inhibitor BCL2L1, MCL1, CD22 CYP2D6 2290/4885SMN1; SMN2 4074/4885NEK2 2232/4885

“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.