SCHEMBL649031

SCHEMBL649031

COC(=O)C(O)c1ccccc1Br

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.46
CYP2C9 P11712 1/20 0.46
HTT P42858 1/20 0.45
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.42
GLS O94925 1/20 0.42
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.39
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38

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
SCHEMBL2393006 0.82 PIN1 (0.47) CYP2C19CYP2C9HTTKMT2AGLS
SCHEMBL29524567 0.82 PIN1 (0.47) CYP2C19CYP2C9HTTKMT2AGLS
SCHEMBL31383801 0.81 CYP2C19 (0.49) CYP2C19CYP2C9HTTKMT2AALDH1A1
SCHEMBL1345452 0.81 CYP2C19 (0.49) CYP2C19CYP2C9HTTKMT2AALDH1A1
SCHEMBL9126501 0.81 CYP2C19 (0.46) CYP2C19CYP2C9HTTKMT2AALDH1A1
SCHEMBL30078420 0.81 CYP2C19 (0.46) CYP2C19CYP2C9HTTKMT2AALDH1A1
SCHEMBL18698687 0.81 KMT2A (0.49) CYP2C19CYP2C9HTTKMT2AALDH1A1
SCHEMBL30574489 0.80 CYP2C19 (0.44) CYP2C19CYP2C9HTTKMT2AALDH1A1
SCHEMBL21296572 0.80 CYP2C19 (0.44) CYP2C19CYP2C9HTTKMT2AALDH1A1
SCHEMBL5050643 0.80 HTT (0.47) CYP2C19CYP2C9HTTKMT2AALDH1A1

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 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-09-02 US disclosed
EP-4010076-B1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2024-01-17 EP disclosed
US-20220315619-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-10-06 US disclosed
EP-4010076-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2022-06-15 EP disclosed
CN-114206893-A (hetero) aryl-methyl-thio-beta-D-galactopyranoside derivatives 爱杜西亚药品有限公司 2022-03-18 CN disclosed
WO-2021028336-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2021-02-18 WO disclosed
EP-2511273-B1 Inhibitors of viral replication, their process of preparation and their therapeutical uses HIVIH (FR) 2019-05-15 EP disclosed
EP-2511273-B1 Inhibitors of viral replication, their process of preparation and their therapeutical uses HIVIH (FR) 2019-05-15 EP disclosed
EP-2697213-B1 INHIBITORS OF VIRAL REPLICATION, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES HIVIH (FR) 2018-12-12 EP disclosed
US-9604900-B2 Inhibitors of viral replication, their process of preparation and their therapeutical uses LABORATOIRE BIODIM (FR) 2017-03-28 US disclosed
EP-2091922-B1 2-[1-PHENYL-5-HYDROXY-4ALPHA-METHYL-HEXAHYDROCYCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME (US) 2011-12-21 EP disclosed
WO-2011053574-A1 2- [1-PHENYL-5-HYDROXY-4a-SUBSTITUTED-HEXAHYDROCYCLOPENTA [F] INDAZOL-5-YL] ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. (US) 2011-05-05 WO disclosed
US-20100311709-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCYCLOPENTA [f]INDAZOLE-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2010-12-09 US disclosed
US-20100311709-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCYCLOPENTA [f]INDAZOLE-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2010-12-09 US disclosed
US-20100311709-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCYCLOPENTA [f]INDAZOLE-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK SHARP & DOHME CORP. 2010-12-09 US disclosed
EP-2097385-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS Merck & Co., Inc. (US) 2009-09-09 EP disclosed
CN-101528707-A 2- [ 1-phenyl-5-hydroxy or methoxy-4 alpha-methyl-hexahydrocyclopenta [ f ] indazol-5-yl ] ethylphenyl derivatives useful as glucocorticoid receptor ligands MERCK & CO INC (US) 2009-09-09 CN disclosed
WO-2008060391-A2 2- [L-PHENYL-5-HYDR0XY-4ALPHA-METHYL-HEXAHYDR0CYCL0PENTA[F] INDAZ0L-5-YL] ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK & CO., INC. (US) 2008-05-22 WO disclosed
WO-2008051532-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
WO-2008051532-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCLOPENTA[F]INDAZOL-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS MERCK & CO., INC. (US) 2008-05-02 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 (3 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-20220315619-A1 (HETERO)ARYL-METHYL-THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS1, LGALS3, LGALS2 CYP2C19 1973/4885CYP2C9 1915/4885HTT 1755/4885
US-12404295-B2 (Hetero)aryl-methyl-thio-beta-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 CYP2C19 1973/4885CYP2C9 1915/4885HTT 1755/4885
US-20100311709-A1 2-[1-PHENYL-5-HYDROXY OR METHOXY-4ALPHA-METHYL-HEXAHYDROCYCLOPENTA [f]INDAZOLE-5-YL]ETHYL PHENYL DERIVATIVES AS GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, NR5A1 CYP2C19 720/4885CYP2C9 1092/4885HTT 3948/4885

“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.