SCHEMBL1933558

SCHEMBL1933558

C=CC[C@@H](O)COCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.49
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
POLB P06746 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
AGER Q15109 1/20 0.46
CA4 P22748 1/20 0.44

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
SCHEMBL7294877 1.00 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL1933560 1.00 CA1 (0.62) CA1CA2CA7CA9MAPK1
SCHEMBL8930327 0.92 CA1 (0.57) CA1CA2CA7CA9MAPK1
SCHEMBL18653600 0.85 CA1 (0.60) CA1CA2CA7CA9MAPK1
SCHEMBL1566002 0.85 CA1 (0.60) CA1CA2CA7CA9MAPK1
SCHEMBL31208336 0.85 CA1 (0.51) CA1CA2CA7CA9MAPK1
SCHEMBL13093849 0.84 CA1 (0.51) CA1CA2CA7CA9MAPK1
SCHEMBL1975300 0.83 CA1 (0.46) CA1CA2CA7CA9MAPK1
SCHEMBL1975297 0.83 CA1 (0.46) CA1CA2CA7CA9MAPK1
SCHEMBL5153374 0.83 CA1 (0.58) CA1CA2CA7CA9MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117425657-A Triazolo-pyrimidine analogs for the treatment of diseases associated with inhibition of Wonna syndrome RECzochralski enzyme (WRN) 诺华股份有限公司 2024-01-19 CN disclosed
CN-116171154-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-05-26 CN disclosed
US-20230046859-A1 Bicyclic Compounds and their Uses NOVARTIS PHARMA AG (CH) 2023-02-16 US disclosed
US-20220041621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2022-02-10 US disclosed
US-20210355138-A1 AMINOTHIAZINIES AND THEIR USE AS BACE1 INHIBITORS LILLY CO ELI (US) 2021-11-18 US disclosed
EP-3223820-B1 3-METHYL-2-IMINO-HEXAHYDRO-1H-PYRANO[3,4-D]PYRIMIDIN-4-ONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2020-07-22 EP disclosed
EP-3497105-A1 AMINOTHIAZINES AND THEIR USE AS BACE1 INHIBITORS ELI LILLY AND COMPANY (US) 2019-06-19 EP disclosed
WO-2018031334-A1 AMINOTHIAZINES AND THEIR USE AS BACE1 INHIBITORS ELI LILLY AND COMPANY (US) 2018-02-15 WO disclosed
WO-2018031334-A1 AMINOTHIAZINES AND THEIR USE AS BACE1 INHIBITORS ELI LILLY AND COMPANY (US) 2018-02-15 WO disclosed
US-20170362248-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2017-12-21 US disclosed
US-8198269-B2 Fused aminodihydrothiazine derivative EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-06-12 US disclosed
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-08-25 US disclosed
EP-2332943-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2011-06-15 EP disclosed
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-15 US disclosed
US-6512003-B2 Depolymerization activity and polymerization inhibition of tubulin; antiproliferative agents PARKER HUGHES INSTITUTE 2003-01-28 US disclosed
US-20020151580-A1 Synthetic spiroketal pyranes as potent anti-cancer agents and use PARKER HUGHES INSTITUTE (US) 2002-10-17 US disclosed
US-6335364-B1 TUBULIN POLYMERIZATION INHIBITORS; ANTIPROLIFERATIVE AND ANTITUMOR AGENTS PARKER HUGHES INSTITUTE 2002-01-01 US disclosed
EP-1091978-A2 SYNTHETIC SPIROKETAL PYRANES AS POTENT ANTI-CANCER AGENTS Parker Hughes Institute (US) 2001-04-18 EP disclosed
WO-2000000514-A9 SYNTHETIC SPIROKETAL PYRANES AS POTENT ANTI-CANCER AGENTS PARKER HUGHES INST (US) 2000-07-20 WO disclosed
WO-2000000514-A2 SYNTHETIC SPIROKETAL PYRANES AS POTENT ANTI-CANCER AGENTS PARKER HUGHES INSTITUTE (US) 2000-01-06 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-20210355138-A1 AMINOTHIAZINIES AND THEIR USE AS BACE1 INHIBITORS BACE1, BACE2, APP CA1 1624/4885CA2 2406/4885CA7 3682/4885
US-20100093999-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, BACE2, APP CA1 866/4885CA2 2251/4885CA7 3297/4885
US-20220041621-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B CA1 4878/4885CA2 2696/4885CA7 4692/4885
US-20110207723-A1 NOVEL FUSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 CA1 591/4885CA2 1748/4885CA7 3740/4885
US-20230046859-A1 Bicyclic Compounds and their Uses H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R, F12 CA1 2289/4885CA2 921/4885CA7 159/4885
US-20020151580-A1 Synthetic spiroketal pyranes as potent anti-cancer agents and use TUBB6, TUBAL3, TUBB1 CA1 3104/4885CA2 3849/4885CA7 3952/4885
US-20170362248-A1 C5-C6-OXACYCLIC FUSED IMINOPYRIMIDINONE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, PSEN1 CA1 160/4885CA2 2164/4885CA7 1649/4885

“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.