Sugi Predict

Sugi Predict / Compounds / SCHEMBL20031462

SCHEMBL20031462

SCHEMBL20031462

COC(=O)c1cc(OC)c2nc(Br)sc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ MAPT P10636 5/20 0.44
▸ KMT2A Q03164 5/20 0.44
▸ PKM P14618 1/20 0.44
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ PI4KB Q9UBF8 1/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ TNF P01375 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ MCL1 Q07820 2/20 0.41
▸ NOD1 Q9Y239 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 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
SCHEMBL20094461 0.87 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2APKM
SCHEMBL19899948 0.87 CA12 (0.49) MAPTKMT2APKMHTTNPSR1
SCHEMBL21062982 0.86 NPC1 (0.43) ALDH1A1KDM4EMAPTKMT2APIK3CA
SCHEMBL19900083 0.86 KMT2A (0.42) ALDH1A1KDM4EMAPTKMT2APKM
SCHEMBL19202342 0.86 KMT2A (0.48) ALDH1A1KDM4EMAPTKMT2APKM
SCHEMBL20094718 0.85 RAB9A (0.48) ALDH1A1KDM4EMAPTKMT2APKM
SCHEMBL19899880 0.85 NOTUM (0.42) ALDH1A1KDM4EMAPTKMT2APIK3CA
SCHEMBL20043415 0.85 SMN1; SMN2 (0.42) ALDH1A1KDM4EMAPTKMT2APIK3CA
SCHEMBL29644660 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2APIK3CA
SCHEMBL9955853 0.85 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTKMT2APIK3CA

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
WO-2023200441-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. (US) 2023-10-19 — — WO disclosed
CN-111278821-B Spiro compounds as farnesol X receptor modulators 百时美施贵宝公司 2023-10-03 — — CN disclosed
EP-3650449-B1 FXR RECEPTOR AGONIST XUANZHU BIOPHARMACEUTICAL CO LTD (CN) 2023-08-23 — — EP disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 — — US disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 — — US disclosed
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators ARDELYX, INC. (US) 2023-08-08 — — US disclosed
WO-2023137135-A1 SOLID FORMS OF A BENZTHIAZOLE-PIPERAZINYL-OXAZOLE COMPOUND AND METHODS OF USE THEREOF Hepagene Therapeutics (HK) Limited (CN) 2023-07-20 — — WO disclosed
CN-112876467-B FXR receptor agonists 轩竹生物科技股份有限公司 2023-06-16 — — CN disclosed
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 — — US disclosed
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX, INC. (US) 2023-05-04 — — US disclosed
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 — — US disclosed
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARM INC (US) 2023-04-27 — — US disclosed
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ENANTA PHARMACEUTICALS, INC. 2023-04-06 — — US disclosed
US-11572367-B2 Antiviral heterocyclic compounds ENANTA PHARMACEUTICALS, INC. (US) 2023-02-07 — — US disclosed
WO-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 — — WO disclosed
EP-3504205-B1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS ARDELYX INC (US) 2021-08-04 — — EP disclosed
EP-3650449-A1 FXR RECEPTOR AGONIST Xuanzhu (Hainan) Biopharmaceutical Co., Ltd. (CN) 2020-05-13 — — EP disclosed
US-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. 2018-04-12 — — US disclosed
WO-2018067704-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF ENANTA PHARMACEUTICALS, INC. (US) 2018-04-12 — — WO disclosed
WO-2018059314-A1 AZABICYCLE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2018-04-05 — — 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-20180099957-A1 ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF GPBAR1, SLC10A1, NR1H4 ALDH1A1 1577/4885KDM4E 4232/4885MAPT 4191/4885
US-11718619-B2 Isoxazolyl-carbonyloxy azabicyclo[3.2.1]octanyl compounds as FXR activators FXR1, FXR2, NR1H4 ALDH1A1 968/4885KDM4E 2487/4885MAPT 4666/4885
US-20230139597-A1 HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS NR1H4, FXR1, GLP1R ALDH1A1 2057/4885KDM4E 4023/4885MAPT 4700/4885
US-20230108803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 ALDH1A1 2176/4885KDM4E 1648/4885MAPT 4608/4885
US-11572367-B2 Antiviral heterocyclic compounds ACE, HPRT1, ACE2 ALDH1A1 2176/4885KDM4E 1648/4885MAPT 4608/4885
US-20230125803-A1 ANTIVIRAL HETEROCYCLIC COMPOUNDS ACE, HPRT1, ACE2 ALDH1A1 2176/4885KDM4E 1648/4885MAPT 4608/4885

“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.