Sugi Predict

Sugi Predict / Compounds / SCHEMBL1096533

SCHEMBL1096533

SCHEMBL1096533

Cn1cc(C(=O)O)c2ccc(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 1/20 0.49
▸ KMT2A Q03164 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ POLB P06746 1/20 0.45
▸ MCL1 Q07820 1/20 0.45
▸ MYC P01106 1/20 0.45
▸ NR4A1 P22736 1/20 0.45
▸ MAP2K1 Q02750 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PDGFRA P16234 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ TYRO3 Q06418 1/20 0.42
▸ NR4A2 P43354 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.41
▸ MITF O75030 1/20 0.41

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
SCHEMBL23362197 0.91 LMNA (0.48) CDK2KMT2AMEN1MCL1MYC
SCHEMBL29640631 0.91 LMNA (0.48) CDK2KMT2AMEN1MCL1MYC
SCHEMBL7522675 0.89 ALDH1A1 (0.44) CDK2KMT2AMEN1POLBMCL1
SCHEMBL19971408 0.87 MAP2K1 (0.47) CDK2KMT2AMEN1POLBMAP2K1
SCHEMBL14631424 0.86 KMT2A (0.55) KMT2AMEN1POLBMCL1MYC
SCHEMBL10254311 0.84 KMT2A (0.49) CDK2KMT2AMEN1POLBKDM4E
SCHEMBL7504662 0.84 KMT2A (0.40) CDK2KMT2AMEN1POLBKDM4E
SCHEMBL497718 0.84 NR4A2 (0.63) KMT2AMEN1KDM4ELMNANR4A2
SCHEMBL29164497 0.83 HTT (0.64) CDK2KMT2AMEN1KDM4ELMNA
SCHEMBL2433825 0.83 KMT2A (0.48) KMT2AMEN1POLBMYCLMNA

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
CN-117603120-A Preparation method and application of indole-3-fluoroketone compound 平顶山学院 2024-02-27 — — CN disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 — — US disclosed
CN-114702504-B Trifluoromethyl substituted indolopyranone compound, preparation method thereof and application thereof in antitumor drugs 平顶山学院 2023-04-07 — — CN disclosed
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF WUHAN LL SCIENCE AND TECHNOLOGY DEVELOPMENT CO., LTD. (CN) 2023-02-16 — — US disclosed
EP-4059928-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF Wuhan LL Science and Technology Development Co., Ltd. (CN) 2022-09-21 — — EP disclosed
CN-114728926-A ROCK inhibitor and preparation method and application thereof 武汉朗来科技发展有限公司 2022-07-08 — — CN disclosed
CN-114702504-A Trifluoromethyl substituted indolopyranone compound, preparation method thereof and application thereof in antitumor drugs 平顶山学院 2022-07-05 — — CN disclosed
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. (US) 2021-09-30 — — US disclosed
US-11091482-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2021-08-17 — — US disclosed
WO-2021126804-A1 INDAZOLE DERIVATIVES AND METHODS OF USE THEREOF FOR THE TREATMENT OF HERPES VIRUSES MERCK SHARP & DOHME CORP. (US) 2021-06-24 — — WO disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 — — WO disclosed
WO-2021093795-A1 ROCK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 武汉朗来科技发展有限公司 2021-05-20 — — WO disclosed
US-20190308973-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. 2019-10-10 — — US disclosed
EP-3401315-A1 FXR RECEPTOR MODULATOR, PREPARATION METHOD THEREFOR, AND USES THEREOF Guangzhou Henovcom Bioscience Co. Ltd. (CN) 2018-11-14 — — EP disclosed
WO-2018039384-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS ARDELYX, INC. (US) 2018-03-01 — — WO disclosed
US-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 — — US disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 — — US disclosed
WO-2009012125-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-01-22 — — 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 (6 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-11091482-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 CDK2 626/4885KMT2A 2360/4885MEN1 2098/4885
US-20190308973-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 CDK2 626/4885KMT2A 2360/4885MEN1 2098/4885
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 CDK2 626/4885KMT2A 2360/4885MEN1 2098/4885
US-20210300927-A1 ISOXAZOLYL-CARBONYLOXY AZABICYCLO[3.2.1]OCTANYL COMPOUNDS AS FXR ACTIVATORS FXR1, FXR2, NR1H4 CDK2 626/4885KMT2A 2360/4885MEN1 2098/4885
US-20230050653-A1 ROCK INHIBITOR AND PREPARATION METHOD THEREFOR AND USE THEREOF ROCK1, CYP11B1, CYP4A11 CDK2 537/4885KMT2A 3568/4885MEN1 977/4885
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 CDK2 3551/4885KMT2A 4379/4885MEN1 3998/4885

“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.