SCHEMBL1498337

SCHEMBL1498337

CCOC(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MEN1 O00255 1/20 0.56
TSHR P16473 1/20 0.56
KMT2A Q03164 1/20 0.56
BTK Q06187 1/20 0.49
EPHX1 P07099 1/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
KDM4E B2RXH2 1/20 0.43
CTSK P43235 2/20 0.43
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
DRD2 P14416 4/20 0.41
MAPT P10636 2/20 0.41
DRD3 P35462 1/20 0.40

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
SCHEMBL12692961 1.00 ALDH1A1 (0.56) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL572952 1.00 ALDH1A1 (0.56) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL23912326 0.93 BTK (0.55) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL15970543 0.88 KMT2A (0.52) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL13920525 0.88 KMT2A (0.52) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL16376312 0.87 ALDH1A1 (0.43) ALDH1A1MEN1TSHRKMT2AKDM4E
SCHEMBL28627032 0.85 BTK (0.55) KMT2ABTKEPHX1KDM1AMAOB
SCHEMBL2579193 0.85 KMT2A (0.54) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL168732 0.85 KMT2A (0.54) ALDH1A1MEN1TSHRKMT2ABTK
SCHEMBL168733 0.85 KMT2A (0.54) ALDH1A1MEN1TSHRKMT2ABTK

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-20230257368-A1 METHOD FOR PRODUCING 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-08-17 US disclosed
US-20230257368-A1 METHOD FOR PRODUCING 1,3-BENZODIOXOLE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2023-08-17 US disclosed
EP-4180426-A1 METHOD FOR PRODUCING 1,3-BENZODIOXOLE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2023-05-17 EP disclosed
CN-116018335-A Process for preparing 1, 3-benzodioxole derivatives 第一三共株式会社 2023-04-25 CN disclosed
WO-2021113368-A1 SSTR5 ANTAGONISTS KALLYOPE, INC. (US) 2021-06-10 WO disclosed
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 US disclosed
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2012-09-27 US disclosed
EP-2477963-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS Zalicus Pharmaceuticals Ltd. (CA) 2012-07-25 EP disclosed
WO-2011035159-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-24 WO disclosed
WO-2011035159-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS ZALICUS PHARMACEUTICALS LTD. (CA) 2011-03-24 WO disclosed
EP-0686625-B1 ANTHRANILIC ACID DERIVATIVE EISAI CO LTD (JP) 1999-05-26 EP disclosed
US-5716993-A PHOSPHODIESTERASE ENZYME INHIBITOR FOR TREATING CARDIOVASCULAR DISORDER, ANGINA PECTORIS, HYPERTENSION, ASTHMA EISAI CO., LTD. (JP) 1998-02-10 US disclosed
CN-1118595-A Anthranilic acid derivative EISAI CO LTD (JP) 1996-03-13 CN disclosed
EP-0686625-A1 ANTHRANILIC ACID DERIVATIVE Eisai Co., Ltd. (JP) 1995-12-13 EP 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-20230257368-A1 METHOD FOR PRODUCING 1,3-BENZODIOXOLE DERIVATIVE BBOX1, CBR3, CBR1 ALDH1A1 437/4885MEN1 4699/4885TSHR 3352/4885
US-20120245137-A1 ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1A ALDH1A1 588/4885MEN1 4176/4885TSHR 2016/4885

“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.