SCHEMBL2723141

SCHEMBL2723141

COC(=O)[C@H]1OC(OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 13/20 0.60
▸ CA2 P00918 13/20 0.60
▸ CA1 P00915 12/20 0.60
▸ CA12 O43570 11/20 0.60
▸ OGA O60502 1/20 0.44
▸ CYP2D6 P10635 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CA14 Q9ULX7 2/20 0.37
▸ PTPN1 P18031 3/20 0.35
▸ PAX8 Q06710 1/20 0.32

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
SCHEMBL25783041 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL15247399 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL12935270 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL25721435 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL13464528 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL7146506 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL185606 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL2736530 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL18391019 1.00 CA9 (0.60) CA9CA2CA1CA12OGA
SCHEMBL14923179 1.00 CA9 (0.60) CA9CA2CA1CA12OGA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11253524-B2 Metabolites of bictegravir GILEAD SCIENCES, INC. (US) 2022-02-22 — — US disclosed
WO-2019144015-A1 METABOLITES OF BICTEGRAVIR GILEAD SCIENCES, INC. (US) 2019-07-25 — — WO disclosed
US-20190224206-A1 METABOLITES OF BICTEGRAVIR GILEAD SCIENCES, INC. 2019-07-25 — — US disclosed
US-10183997-B2 Compositions and methods related to anti-CD19 antibody drug conjugates LEGOCHEM BIOSCIENCES, INC. (KR) 2019-01-22 — — US disclosed
US-20180030078-A1 A NEW QUINOLINE DERIVATIVE FOR USE IN THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS UNIVERSITE DE MONTPELLIER (FR) 2018-02-01 — — US disclosed
US-9669107-B2 Antibody-active agent conjugates and methods of use LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-06 — — US disclosed
WO-2017089890-A1 CONJUGATES COMPRISING SELF-IMMOLATIVE GROUPS AND METHODS RELATED THERETO LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-01 — — WO disclosed
WO-2017089894-A1 CONJUGATES COMPRISING PEPTIDE GROUPS AND METHODS RELATED THERETO LEGOCHEM BIOSCIENCES, INC. (KR) 2017-06-01 — — WO disclosed
EP-3156424-A1 COMPOUND CONTAINING SELF-IMMOLATIVE GROUP LegoChem Biosciences, Inc. (KR) 2017-04-19 — — EP disclosed
US-20170095576-A1 COMPOUNDS COMPRISING SELF-IMMOLATIVE GROUP LEGOCHEM BIOSCIENCES, INC. (KR) 2017-04-06 — — US disclosed
EP-2155769-A2 TISSUE DEGENERATION PROTECTION Katholieke Universiteit Leuven (BE) 2010-02-24 — — EP disclosed
WO-2008134828-A2 TISSUE DEGENERATION PROTECTION KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2008-11-13 — — WO disclosed
WO-2008083312-A2 CHEMICAL LINKERS AND CLEAVABLE SUBSTRATES AND CONJUGATES THEREOF MEDAREX, INC. (US) 2008-07-10 — — WO disclosed
US-20040167080-A1 Glucopyranoside benzothiophenes DODGE JEFFREY A (US) 2004-08-26 — — US disclosed
US-6723739-B1 INHIBITING POSTMENOPAUSAL OSTEOPOROSIS ELI LILLY AND COMPANY 2004-04-20 — — US disclosed
EP-0683170-B1 Glucopyranoside benzothiophenes LILLY CO ELI (US) 1999-09-22 — — EP disclosed
US-5567820-A THERAPY FOR BONE DISEASES ELI LILLY AND COMPANY (US) 1996-10-22 — — US disclosed
EP-0683170-A1 Glucopyranoside benzothiophenes ELI LILLY AND COMPANY (US) 1995-11-22 — — EP disclosed
EP-0018063-B1 PYRIDAZIN (2H)-3-ONES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN ANTIHYPERTENSIVE AGENTS DIAMOND SHAMROCK CORPORATION (US) 1983-02-23 — — EP disclosed
US-4238490-A Antihypertensive pyridazin(2H)-3-ones DIAMOND SHAMROCK CORPORATION (US) 1980-12-09 — — US 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-10183997-B2 Compositions and methods related to anti-CD19 antibody drug conjugates CD47, CD22, BCL6 CA9 93/4885CA2 856/4885CA1 187/4885
US-11253524-B2 Metabolites of bictegravir CYP3A43, CYP3A4, CYP3A5 CA9 2836/4885CA2 4242/4885CA1 4696/4885
US-20040167080-A1 Glucopyranoside benzothiophenes UGGT1, SLC5A1, B4GALT1 CA9 2203/4885CA2 2411/4885CA1 3136/4885
US-20170095576-A1 COMPOUNDS COMPRISING SELF-IMMOLATIVE GROUP IAPP, IDE, DNPEP CA9 722/4885CA2 1663/4885CA1 420/4885
US-20190224206-A1 METABOLITES OF BICTEGRAVIR CYP3A43, CYP3A4, CYP3A5 CA9 2836/4885CA2 4242/4885CA1 4696/4885
US-20180030078-A1 A NEW QUINOLINE DERIVATIVE FOR USE IN THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS MAVS, NQO2, IRF3 CA9 4751/4885CA2 4387/4885CA1 4776/4885

“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.

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