SCHEMBL1661030

SCHEMBL1661030

CNC(=O)C(O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 20/20 0.78
▸ ADORA1 P30542 10/20 0.78
▸ ADORA2A P29274 7/20 0.78
▸ PPARG P37231 3/20 0.78
▸ PPARD Q03181 3/20 0.78
▸ HTR2C P28335 1/20 0.65
▸ HTR2B P41595 1/20 0.65
▸ ABCG2 Q9UNQ0 1/20 0.65

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
SCHEMBL5369617 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL18675574 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL12264930 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14316094 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL18675576 0.88 ADORA3 (1.00) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14296866 0.85 ADORA3 (0.86) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL14296862 0.84 ADORA3 (0.77) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL29464001 0.84 ADORA3 (0.78) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL935807 0.84 ADORA3 (0.78) ADORA3ADORA1ADORA2APPARGPPARD
SCHEMBL935056 0.84 ADORA3 (0.78) ADORA3ADORA1ADORA2APPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11969501-B2 Auris formulations for treating otic diseases and conditions DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-04-30 — — US disclosed
US-11918653-B2 Triglyceride otic formulations and uses thereof DOMPÉ FARMACEUTICI S.P.A. (IT) 2024-03-05 — — US disclosed
US-20220040096-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTONOMY INC (US) 2022-02-10 — — US disclosed
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTONOMY, INC. (US) 2021-09-21 — — US disclosed
US-11123286-B2 Auris formulations for treating otic diseases and conditions OTONOMY, INC. (US) 2021-09-21 — — US disclosed
US-20210138069-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF DOMPÉ FARMACEUTICI S.P.A. (IT) 2021-05-13 — — US disclosed
US-20200397907-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF OTONOMY, INC. 2020-12-24 — — US disclosed
US-10821185-B2 Triglyceride otic formulations and uses thereof OTONOMY INC. (US) 2020-11-03 — — US disclosed
US-10751281-B2 Auris formulations for treating otic diseases and conditions OTONOMY, INC. (US) 2020-08-25 — — US disclosed
US-20200230051-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTONOMY, INC. 2020-07-23 — — US disclosed
US-20160095902-A1 Auris Formulations for Treating Otic Diseases and Conditions OTONOMY, INC. 2016-04-07 — — US disclosed
US-9132087-B2 Auris formulations for treating otic diseases and conditions OTONOMY, INC. (US) 2015-09-15 — — US disclosed
US-20120277199-A1 Modulation of Gel Temperature of Poloxamer-Containing Formulations OTONOMY, INC. (US) 2012-11-01 — — US disclosed
EP-2490722-A2 MODULATION OF GEL TEMPERATURE OF POLOXAMER-CONTAINING FORMULATIONS Otonomy, Inc. (US) 2012-08-29 — — EP disclosed
WO-2011049960-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SINONASAL DISORDERS OTONOMY, INC. (US) 2011-04-28 — — WO disclosed
WO-2011050206-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF SINONASAL DISORDERS OTONOMY, INC. (US) 2011-04-28 — — WO disclosed
WO-2011049958-A2 MODULATION OF GEL TEMPERATURE OF POLOXAMER-CONTAINING FORMULATIONS OTONOMY, INC. (US) 2011-04-28 — — WO disclosed
US-20090306225-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTONOMY, INC. (US) 2009-12-10 — — US disclosed
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-26 — — US disclosed
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ZALICUS INC. 2009-02-19 — — 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 (15 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-20210138069-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF CETP, LIPA, APOB ADORA3 2478/4885ADORA1 2255/4885ADORA2A 2398/4885
US-20220040096-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885
US-11123286-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885
US-20200230051-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885
US-10751281-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885
US-10821185-B2 Triglyceride otic formulations and uses thereof CETP, LIPA, APOB ADORA3 2382/4885ADORA1 2143/4885ADORA2A 2246/4885
US-20090306225-A1 AURIS FORMULATIONS FOR TREATING OTIC DISEASES AND CONDITIONS OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885
US-20160095902-A1 Auris Formulations for Treating Otic Diseases and Conditions OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885
US-11123285-B2 Auris formulations for treating OTIC diseases and conditions OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885
US-20090047243-A1 COMBINATIONS FOR THE TREATMENT OF B-CELL PROLIFERATIVE DISORDERS ADORA2A, PDE4A, PDE4D ADORA3 27/4885ADORA1 31/4885ADORA2A 1/4885
US-11918653-B2 Triglyceride otic formulations and uses thereof CETP, LIPA, APOB ADORA3 2478/4885ADORA1 2255/4885ADORA2A 2398/4885
US-20090053168-A1 TREATMENTS OF B-CELL PROLIFERATIVE DISORDERS BCL6, BCL6B, BCL3 ADORA3 101/4885ADORA1 83/4885ADORA2A 9/4885
US-20120277199-A1 Modulation of Gel Temperature of Poloxamer-Containing Formulations PTGIR, HSPH1, HSP90AA1 ADORA3 3154/4885ADORA1 2686/4885ADORA2A 1279/4885
US-20200397907-A1 TRIGLYCERIDE OTIC FORMULATIONS AND USES THEREOF CETP, LIPA, APOB ADORA3 2382/4885ADORA1 2143/4885ADORA2A 2246/4885
US-11969501-B2 Auris formulations for treating otic diseases and conditions OTC, AQP4, SLC26A4 ADORA3 84/4885ADORA1 9/4885ADORA2A 24/4885

“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.

Send feedback