Sugi Predict

Sugi Predict / Compounds / SCHEMBL7214903

SCHEMBL7214903

SCHEMBL7214903

CC(C)(C)OC(=O)NCc1ccc2[nH]ccc2c1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CHRNA7 P36544 5/20 0.45
▸ KCNH2 Q12809 2/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ SRC P12931 1/20 0.45
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ KDM4A O75164 1/20 0.44
▸ HPN P05981 1/20 0.44
▸ CACNA1G O43497 1/20 0.43
▸ CACNA1H O95180 1/20 0.43
▸ CACNA1I Q9P0X4 1/20 0.43
▸ GRM2 Q14416 1/20 0.43
▸ NAMPT P43490 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ KLKB1 P03952 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL29792562 1.00 L3MBTL1 (0.49) L3MBTL1CHRNA7KCNH2ABL1SRC
SCHEMBL1615764 0.90 NLRP3 (0.52) L3MBTL1ABL1KDM4AHPNGRM2
SCHEMBL30193348 0.90 NLRP3 (0.52) L3MBTL1ABL1KDM4AHPNGRM2
SCHEMBL30937471 0.87 HDAC1 (0.48) L3MBTL1HDAC1HDAC8NAMPTMAPT
SCHEMBL13415005 0.83 TSHR (0.57) CHRNA7KCNH2ABL1SRCHDAC1
SCHEMBL16729280 0.81 ALDH1A1 (0.67) MAPTKDM4EALDH1A1
SCHEMBL29377817 0.81 ALDH1A1 (0.67) MAPTKDM4EALDH1A1
SCHEMBL6015699 0.80 KDM4E (0.62) CHRNA7KCNH2ABL1SRCHDAC1
SCHEMBL9913550 0.80 NQO2 (0.48) HDAC1HDAC8KDM4ANAMPT
SCHEMBL1912330 0.80 L3MBTL1 (0.49) L3MBTL1KDM4ANAMPTMAPTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4031547-B1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-07-17 — — EP disclosed
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-10-17 — — US disclosed
WO-2021055621-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2021-03-25 — — WO disclosed
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF CHARLES RIVER LABORATORIES, INC. 2021-03-18 — — US disclosed
US-10370358-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2019-08-06 — — US disclosed
US-20180194746-A1 Compounds For the Treatment of HIV GILEAD SCIENCES, INC. 2018-07-12 — — US disclosed
US-9944619-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2018-04-17 — — US disclosed
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2017-05-18 — — US disclosed
US-9540343-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2017-01-10 — — US disclosed
EP-2729448-B1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES INC (US) 2015-09-09 — — EP disclosed
US-9061994-B1 Materials and methods useful to induce vacuolization, cell death, or a combination thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-23 — — US disclosed
US-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof THE UNIVERSITY OF TOLEDO (US) 2015-06-04 — — US disclosed
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2014-05-22 — — US disclosed
WO-2013006738-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. (US) 2013-01-10 — — WO disclosed
US-6610692-B1 Anticoagulants MERCK & CO., INC. 2003-08-26 — — US disclosed
EP-1124822-A4 THROMBIN INHIBITORS MERCK & CO INC (US) 2002-04-03 — — EP disclosed
EP-1124822-A1 THROMBIN INHIBITORS Merck & Co., Inc. (US) 2001-08-22 — — EP disclosed
WO-2000026211-A1 THROMBIN INHIBITORS MERCK & CO., INC. (US) 2000-05-11 — — WO 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 (7 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-10370358-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN L3MBTL1 4307/4885CHRNA7 4730/4885KCNH2 2726/4885
US-20150152049-A1 Materials And Methods Useful To Induce Vacuolization, Cell Death, Or A Combination Thereof BECN1, BAD, BAX L3MBTL1 1509/4885CHRNA7 4829/4885KCNH2 4288/4885
US-20180194746-A1 Compounds For the Treatment of HIV CCR5, NPC1, FURIN L3MBTL1 4307/4885CHRNA7 4730/4885KCNH2 2726/4885
US-11787796-B2 Plasma Kallikrein inhibitors and uses thereof KLKB1, KLK1, KLK5 L3MBTL1 3300/4885CHRNA7 4470/4885KCNH2 1182/4885
US-20170137405-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN L3MBTL1 4307/4885CHRNA7 4730/4885KCNH2 2726/4885
US-20140142085-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN L3MBTL1 4307/4885CHRNA7 4730/4885KCNH2 2726/4885
US-20210078999-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF KLKB1, KLK1, KLK5 L3MBTL1 3300/4885CHRNA7 4470/4885KCNH2 1182/4885

“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.