SCHEMBL2869141

SCHEMBL2869141

CC(C)OC(=N)C(Cl)(Cl)Cl

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
TSHR P16473 1/20 0.35

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
Cyclohexane SCHEMBL9279245 0.92 CA12 (0.35) CA12CA1CA2CA9TSHR
SCHEMBL18596895 0.76
SCHEMBL22143239 0.74 CA12 (0.38) CA12CA1CA2CA9TSHR
SCHEMBL972108 0.70
SCHEMBL6151834 0.70 CA12 (0.40) CA12CA1CA2CA9TSHR
SCHEMBL1071106 0.69
SCHEMBL15639670 0.69 TSHR (0.35) TSHR
SCHEMBL1707076 0.69 TSHR (0.46) CA12CA1CA2CA9TSHR
SCHEMBL6031323 0.67 TSHR (0.42) CA12CA1CA2CA9TSHR
Hydrochloric Acid SCHEMBL2688962 0.67

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
CN-116836075-A Preparation method of oseltamivir phosphate catalyzed by azide-free palladium-free catalyst 华东理工大学 2023-10-03 CN claimed
WO-2022167637-A1 PROCESS FOR MODIFYING AN AROMATIC POLYETHER BACKBONE AND A MODIFIED POLYETHER OBTAINED BY THIS PROCESS Technische Universität Berlin (DE) 2022-08-11 WO disclosed
WO-2020244483-A1 SAPONIN CONJUGATE AND VACCINE OR PHARMACEUTICAL COMPOSITION COMPRISING THE SAME LIANG PI HUI (CN) 2020-12-10 WO disclosed
WO-2011162562-A2 [6+5] FUSED BICYCLES AS A THROMBIN ANTAGONIST, PROCESS FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE BICYCLES KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2011-12-29 WO disclosed
US-7816405-B2 Calcium bis [(2S)-3-[3-[(2S)-3-(4-chloro-2-cyanophenoxy)-2-fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 US disclosed
US-7816405-B2 Calcium bis [(2S)-3-[3-[(2S)-3-(4-chloro-2-cyanophenoxy)-2-fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 US disclosed
US-7816405-B2 Calcium bis [(2S)-3-[3-[(2S)-3-(4-chloro-2-cyanophenoxy)-2-fluoropropoxy]phenyl ]-2-isopropoxypropionate] and intermediate thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-10-19 US disclosed
US-20090069591-A1 Calcium Bis [ (2S) -3- [3-[ (2S) -3- (4-Chloro-2-Cyanophenoxy) -2- Fluoropropoxy]Phenyl] -2- Isopropoxypropionate] and Intermediate Thereof EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-03-12 US disclosed
US-20090069591-A1 Calcium Bis [ (2S) -3- [3-[ (2S) -3- (4-Chloro-2-Cyanophenoxy) -2- Fluoropropoxy]Phenyl] -2- Isopropoxypropionate] and Intermediate Thereof EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-03-12 US disclosed
US-20090069591-A1 Calcium Bis [ (2S) -3- [3-[ (2S) -3- (4-Chloro-2-Cyanophenoxy) -2- Fluoropropoxy]Phenyl] -2- Isopropoxypropionate] and Intermediate Thereof EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-03-12 US disclosed
WO-1995009857-A1 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-04-13 WO disclosed
US-5344925-A Autoimmune diseases; infections; organ transplants MERCK & CO., INC. (US) 1994-09-06 US disclosed
US-5250678-A For autoimmune, infectious diseases, organ transplant rejection; skin diseases, antiinflammatory agents MERCK & CO., INC. (US) 1993-10-05 US disclosed
US-5247076-A IMIDAZOLIDYL MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1993-09-21 US disclosed
US-5208228-A Skin disorders MERCK & CO., INC. (US) 1993-05-04 US disclosed
EP-0536896-A1 Imidazolidyl macrolides having immunosuppressive activity MERCK & CO. INC. (US) 1993-04-14 EP disclosed
WO-1993005059-A1 IMIDAZOLIDYL MACROLIDES MERCK & CO., INC. (US) 1993-03-18 WO disclosed
EP-0530888-A1 Fluoromacrolides having immunosuppressive activity MERCK & CO. INC. (US) 1993-03-10 EP disclosed
US-5189042-A Treating autoimmune diseases, preventing transplant rejection MERCK & CO. INC. (US) 1993-02-23 US disclosed
EP-0515071-A2 O-aryl, O-alkyl, O-alkenyl and O-alkynylmacrolides having immunosuppressive activity MERCK & CO. INC. (US) 1992-11-25 EP 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 (1 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-20090069591-A1 Calcium Bis [ (2S) -3- [3-[ (2S) -3- (4-Chloro-2-Cyanophenoxy) -2- Fluoropropoxy]Phenyl] -2- Isopropoxypropionate] and Intermediate Thereof CA2, CACNA1A, CACNA1C CA12 283/4885CA1 36/4885CA2 1/4885

“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.