SCHEMBL2600029

SCHEMBL2600029

CC(C)(C)Cc1cc(F)c(F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.41
ESR1 P03372 1/20 0.39
MAOB P27338 1/20 0.33
DPP4 P27487 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
SLC6A2 P23975 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL24086642 0.87 ESR1 (0.34) RIPK1ESR1
SCHEMBL13020832 0.83 ESR1 (0.32) RIPK1ESR1
SCHEMBL24419417 0.83 ESR1 (0.38) ESR1DPP4
SCHEMBL13547936 0.82 CACNA1H (0.37)
SCHEMBL12866865 0.81 ESR1 (0.46) RIPK1ESR1THRATHRB
SCHEMBL25039104 0.81 ESR1 (0.37) ESR1DPP4SLC6A2
SCHEMBL25039210 0.79 RIPK1 (0.45) RIPK1MAOB
SCHEMBL13547868 0.78 DBH (0.41) ESR1TAAR1
SCHEMBL12867251 0.78 KCNH2 (0.35)
SCHEMBL1912679 0.77 IDO1 (0.41) ESR1THRATHRBSLC6A2TAAR1

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 56 patents — showing the first 20. 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-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (UA) 2023-12-14 US disclosed
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR Pelemed Co., Ltd. (UA) 2023-12-14 US disclosed
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 US disclosed
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola REDHILL BIOPHARMA LTD. (IL) 2023-10-17 US disclosed
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-11633385-B2 Combination compositions for treatment of cancer REDHILL BIOPHARMA LTD. (IL) 2023-04-25 US disclosed
US-20210369754-A1 INHIBITOR OF SPHINGOSINE KINASE 2 FOR TREATING EBOLA REDHILL BIOPHARMA LTD (IL) 2021-12-02 US disclosed
US-11090325-B2 Compositions for treating ebola virus infection REDHILL BIOPHARMA LTD. (IL) 2021-08-17 US disclosed
US-20210128538-A1 COMBINATION COMPOSITIONS FOR TREATMENT OF CANCER REDHILL BIOPHARMA LTD (IL) 2021-05-06 US disclosed
US-20090221689-A1 Macrocyclic Modulators of the Ghrelin Receptor TRANZYME PHARMA INC. 2009-09-03 US disclosed
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor TRANZYME PHARMA INC. 2009-08-06 US disclosed
US-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR TRANZYME PHARMA INC. 2009-07-02 US disclosed
US-7491695-B2 Therapy for endocrime disorders; gastrointestinal disorders; cardiovascular disorders; obesity; central nervous system disorders; antiproliferative agents ; using growth hormone secretagogue receptor TRANZYME PHARMA INC. (CA) 2009-02-17 US disclosed
US-7476653-B2 Using growth hormone secretagague receptors; endocrime disorders; gastrointestinal disorders; cardiovascular disorders; central nervous system disorders; antiproliferative agents; antiinflammatory agents TRANZYME PHARMA, INC. (CA) 2009-01-13 US disclosed
US-20080167352-A1 Sphingosine Kinase Inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-07-10 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed
US-7338961-B2 Sphingosine kinase inhibitors APOGEE BIOTECHNOLOGY CORPORATION (US) 2008-03-04 US disclosed
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE APOGEE BIOTECHNOLOGY CORPORATION (US) 2007-02-08 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 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-20090221689-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR RIPK1 1856/4885ESR1 365/4885MAOB 3458/4885
US-20090170757-A1 METHODS OF USING MACROCYCLIC MODULATORS OF THE GHRELIN RECEPTOR GHSR, GHRHR, GIPR RIPK1 2459/4885ESR1 534/4885MAOB 2868/4885
US-20070032531-A1 SPHINGOSINE KINASE INHIBITORS AND METHODS OF THEIR USE SPHK1, SPHK2, S1PR2 RIPK1 158/4885ESR1 4551/4885MAOB 2399/4885
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 RIPK1 2290/4885ESR1 4759/4885MAOB 3575/4885
US-11786541-B2 Inhibitor of sphingosine kinase 2 for treating Ebola SPHK2, SPHK1, S1PR2 RIPK1 462/4885ESR1 4857/4885MAOB 1033/4885
US-20080167352-A1 Sphingosine Kinase Inhibitors SPHK1, SPHK2, S1PR1 RIPK1 55/4885ESR1 4530/4885MAOB 2658/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK RIPK1 3349/4885ESR1 3826/4885MAOB 198/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 RIPK1 2944/4885ESR1 4773/4885MAOB 2323/4885
US-11633385-B2 Combination compositions for treatment of cancer KRAS, TPMT, CYP2D6 RIPK1 4349/4885ESR1 1193/4885MAOB 503/4885
US-20210128538-A1 COMBINATION COMPOSITIONS FOR TREATMENT OF CANCER KRAS, TPMT, CYP2D6 RIPK1 4349/4885ESR1 1193/4885MAOB 503/4885
US-20090198050-A1 Macrocyclic Modulators of the Ghrelin Receptor GHSR, GIPR, GHRHR RIPK1 1856/4885ESR1 365/4885MAOB 3458/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR RIPK1 2459/4885ESR1 534/4885MAOB 2868/4885
US-20210369754-A1 INHIBITOR OF SPHINGOSINE KINASE 2 FOR TREATING EBOLA SPHK2, SPHK1, S1PR2 RIPK1 462/4885ESR1 4857/4885MAOB 1033/4885
US-20230399320-A1 NOVEL CAPSID ASSEMBLY INHIBITOR ZC3HAV1, COPB1, CNBP RIPK1 1403/4885ESR1 4851/4885MAOB 3851/4885
US-11090325-B2 Compositions for treating ebola virus infection NEFM, EIF2AK2, IRF3 RIPK1 3825/4885ESR1 4810/4885MAOB 554/4885

“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.