SCHEMBL16744221

SCHEMBL16744221

CC(C)c1cc2ccsc2cc1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.38
DYRK1A Q13627 1/20 0.35
CA2 P00918 6/20 0.33
CA12 O43570 5/20 0.33
PTPRC P08575 1/20 0.32
PTPN6 P29350 1/20 0.32
PTPN11 Q06124 1/20 0.32
PTPN22 Q9Y2R2 1/20 0.32
HTR2C P28335 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31

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
SCHEMBL20417071 0.86 CYP2A6 (0.35) CYP2A6DYRK1ACA2CA12HTR2C
SCHEMBL24253404 0.84 LMNA (0.41) CYP2A6CA2HTR2C
SCHEMBL24253388 0.84 LMNA (0.41) CYP2A6CA2HTR2C
SCHEMBL13209268 0.81 GAA (0.34) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL22215544 0.81 POLB (0.41) CYP2A6CTNNB1WNT3A
SCHEMBL13824571 0.81 CA2 (0.37) CYP2A6DYRK1ACA2CA12PTPRC
SCHEMBL22796676 0.81 POLB (0.41) CYP2A6CA2CA12CTNNB1WNT3A
SCHEMBL164774 0.75 CYP2A6 (0.50) CYP2A6DYRK1ACA2CA12PTPRC
SCHEMBL25891142 0.74 CYP2A6 (0.33) CYP2A6DYRK1APTPRCPTPN6PTPN11
SCHEMBL1041559 0.73 CYP2A6 (0.48) CYP2A6DYRK1ACA2CA12PTPRC

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-20230331734-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-10-19 US disclosed
US-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-08 US disclosed
US-20230159546-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-25 US disclosed
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-11384090-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-07-12 US disclosed
WO-2022109363-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2022-05-27 WO disclosed
US-9944633-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BROAD INSTITUTE, INC. (US) 2018-04-17 US disclosed
US-9737516-B2 Bicyclic heterocycles as bet protein inhibitors INCYTE CORPORATION (US) 2017-08-22 US disclosed
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION 2016-07-28 US disclosed
US-9315501-B2 Bicyclic heterocycles as BET protein inhibitors INCYTE CORPORATION (US) 2016-04-19 US disclosed
US-20160102087-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGENASE RELATED DISEASES PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-04-14 US disclosed
US-9120810-B2 Compounds and methods for the treatment of isocitrate dehydrogenase related diseases THE BOARD INSTITUTE, INC. (US) 2015-09-01 US disclosed
US-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS INCYTE CORPORATION (US) 2015-05-28 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 (9 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-20150148375-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 CYP2A6 4458/4885DYRK1A 3115/4885CA2 4746/4885
US-20230331734-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, PKD1, ACE2 CYP2A6 1110/4885DYRK1A 4382/4885CA2 1520/4885
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 CYP2A6 901/4885DYRK1A 4575/4885CA2 1275/4885
US-20160102087-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF ISOCITRATE DEHYDROGENASE RELATED DISEASES IDH1, IDH2, IDH3A CYP2A6 743/4885DYRK1A 3939/4885CA2 141/4885
US-11384090-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, REN CYP2A6 498/4885DYRK1A 4521/4885CA2 575/4885
US-20230159546-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, REN CYP2A6 791/4885DYRK1A 4642/4885CA2 979/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 CYP2A6 624/4885DYRK1A 4508/4885CA2 872/4885
US-20230174542-A1 HETEROCYCLIC ANTIVIRAL AGENTS ACE, SARS1, ACE2 CYP2A6 905/4885DYRK1A 4746/4885CA2 1852/4885
US-20160213654-A1 BICYCLIC HETEROCYCLES AS BET PROTEIN INHIBITORS BRD1, BRD3, BRD2 CYP2A6 4458/4885DYRK1A 3115/4885CA2 4746/4885

“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.