SCHEMBL8088487

SCHEMBL8088487

COC(=O)C(C)(C)C(N)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP3A4 P08684 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2D6 P10635 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SRC P12931 1/20 0.43
CYP26A1 O43174 4/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 2/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ELANE P08246 1/20 0.40
AOC3 Q16853 1/20 0.40
MAPT P10636 1/20 0.39
CTSD P07339 1/20 0.39

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
SCHEMBL28771531 0.84 CTSS (0.43) KMT2ACYP3A4CYP1A2CYP2D6TSHR
SCHEMBL7836925 0.83 AOC3 (0.46) CYP1A2CYP2D6SRCCYP2C19OPRK1
SCHEMBL14826292 0.81 KCNN4 (0.50) KCNN4KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL10905859 0.81 KCNN4 (0.50) KCNN4KMT2ACYP3A4CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7826397 0.81 ALDH1A1 (0.45) CYP1A2CYP2D6SRCCYP2C19OPRK1
SCHEMBL16369994 0.79 KCNN4 (0.47) KCNN4KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL12682125 0.76 ACP3 (0.45) KCNN4KMT2AHSD17B10SRCALDH1A1
SCHEMBL11730429 0.75 CTRB1 (0.50) KCNN4KMT2AMAPK1ATM
SCHEMBL5768934 0.75 PRSS1 (0.44) KCNN4KMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL13998332 0.75 CYP26A1 (0.45) KCNN4KMT2ACYP3A4CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400501-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2024-12-05 US disclosed
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2022-12-22 US disclosed
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2022-12-22 US disclosed
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof ALLERGAN, INC. (US) 2021-12-28 US disclosed
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof ALLERGAN, INC. (US) 2021-12-28 US disclosed
EP-3668832-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF Allergan, Inc. (US) 2020-06-24 EP disclosed
CN-111225900-A 3, 4-disubstituted 3-cyclobutene-1, 2-diones and their use 阿勒根公司 2020-06-02 CN disclosed
WO-2019036374-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. (US) 2019-02-21 WO disclosed
WO-2019036374-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. (US) 2019-02-21 WO disclosed
US-20190047947-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2019-02-14 US disclosed
US-20190047947-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF ALLERGAN, INC. 2019-02-14 US disclosed
EP-0843967-B1 Use of Beta-aminopropionic acid derivatives as fungicides ISAGRO RICERCA SRL (IT) 2000-04-05 EP disclosed
US-5856311-A Derivatives of β-aminopropionic acid with a fungicidal activity ISAGRO RICERCA SRL (IT) 1999-01-05 US disclosed
EP-0843967-A1 Use of Beta-aminopropionic acid derivatives as fungicides ISAGRO RICERCA S.r.l. (IT) 1998-05-27 EP disclosed
EP-0718280-A2 Derivatives of beta-aminopropionic acid with a fungicidal activity ISAGRO RICERCA S.r.l. (IT) 1996-06-26 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 (4 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-20240400501-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB KCNN4 3757/4885KMT2A 4316/4885CYP3A4 345/4885
US-11208377-B2 3,4-disubstituted 3-cyclobutene-1,2-diones and use thereof IL17A, TSLP, SSB KCNN4 3757/4885KMT2A 4316/4885CYP3A4 345/4885
US-20220402866-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB KCNN4 3757/4885KMT2A 4316/4885CYP3A4 345/4885
US-20190047947-A1 3,4-DISUBSTITUTED 3-CYCLOBUTENE-1,2-DIONES AND USE THEREOF IL17A, TSLP, SSB KCNN4 3757/4885KMT2A 4316/4885CYP3A4 345/4885

“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.