SCHEMBL2664154

SCHEMBL2664154

CC(C)(C)C1CCC(=O)O1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.50
CA9 Q16790 1/20 0.50
CYP1A2 P05177 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9607559 1.00 CA1 (0.50) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL9607558 1.00 CA1 (0.50) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL13533896 0.86 CA1 (0.46) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL13817904 0.86 CA1 (0.46) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL9927430 0.82 CA1 (0.46) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL22972533 0.79 CA1 (0.43) CA1CA9CYP1A2SMN1; SMN2
SCHEMBL9559189 0.76 CA1 (0.44) CA1CA9CYP1A2
SCHEMBL12182879 0.76 CA1 (0.44) CA1CA9CYP1A2
SCHEMBL25327380 0.76 CA1 (0.41) CA1CA9CYP1A2
SCHEMBL9436287 0.74 CA1 (0.39) CA1CA9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VECTIVBIO COMET AG (CH) 2024-07-16 US disclosed
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VECTIVBIO COMET AG (CH) 2024-07-16 US disclosed
US-20230339930-A1 Antiviral Heteroaryl Ketone Derivatives PFIZER INC. (US) 2023-10-26 US disclosed
US-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VECTIVBIO COMET AG, F/K/A COMET THERAPEUTICS, INC. (CH) 2023-03-09 US disclosed
US-11505535-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2022-11-22 US disclosed
US-11339139-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2022-05-24 US disclosed
US-20200407336-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME Corsair Pharma, Inc. (US) 2020-12-31 US disclosed
US-10752605-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2020-08-25 US disclosed
US-10450290-B2 Treprostinil derivative compounds and methods of using same Corsair Pharma, Inc. (US) 2019-10-22 US disclosed
US-20190292163-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME CORSAIR PHARMA INC (US) 2019-09-26 US disclosed
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-12-31 US disclosed
US-7592461-B2 Indane modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2009-09-22 US disclosed
US-7553842-B2 Macrocyclic analogs for the treatment of immunoregulatory disorders and respiratory diseases ARRAY BIOPHARMA INC. (US) 2009-06-30 US disclosed
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US disclosed
US-20090030046-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2009-01-29 US disclosed
US-7326728-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κβ activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-7326728-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κβ activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2008-02-05 US disclosed
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-09 US disclosed
US-20070179189-A1 Modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY 2007-08-02 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-11505535-B2 Treprostinil derivative compounds and methods of using same PTGIS, PTGIR, PTGER3 CA1 3025/4885CA9 1651/4885CYP1A2 54/4885
US-10752605-B2 Treprostinil derivative compounds and methods of using same PTGIS, PTGIR, PTGER3 CA1 3025/4885CA9 1651/4885CYP1A2 54/4885
US-20080009465-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, PCK1 CA1 2179/4885CA9 549/4885CYP1A2 4331/4885
US-20230339930-A1 Antiviral Heteroaryl Ketone Derivatives ACE2, ZC3HAV1, SARS1 CA1 4850/4885CA9 4313/4885CYP1A2 77/4885
US-20230072313-A1 CYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF VNN1, VKORC1, PANK3 CA1 3831/4885CA9 1781/4885CYP1A2 503/4885
US-20090075995-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB2, NFRKB, NFKB1 CA1 4323/4885CA9 3315/4885CYP1A2 1055/4885
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VNN1, VKORC1, PANK3 CA1 3831/4885CA9 1781/4885CYP1A2 503/4885
US-20090325961-A1 INDANE MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFKB1, NR3C1, NR5A1 CA1 4048/4885CA9 2804/4885CYP1A2 1638/4885
US-20090030046-A1 NOVEL GLUCOKINASE ACTIVATORS AND METHODS OF USING SAME GCKR, GCK, HK1 CA1 3621/4885CA9 2029/4885CYP1A2 3973/4885
US-20200407336-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 CA1 3025/4885CA9 1651/4885CYP1A2 54/4885
US-20070185056-A1 Indane modulators of glucocorticoid receptor, AP-1, and/or NF/kB activity and use thereof NFKB1, NR3C1, NR5A1 CA1 4063/4885CA9 2896/4885CYP1A2 1575/4885
US-11339139-B2 Treprostinil derivative compounds and methods of using same PTGIS, PTGIR, PTGER3 CA1 3025/4885CA9 1651/4885CYP1A2 54/4885
US-20190292163-A1 TREPROSTINIL DERIVATIVE COMPOUNDS AND METHODS OF USING SAME PTGIS, PTGIR, PTGER3 CA1 3025/4885CA9 1651/4885CYP1A2 54/4885
US-20070179189-A1 Modulators of the glucocorticoid receptor, AP-1, and/or NF-kB activity and use thereof NFRKB, NFKBIA, NFKB2 CA1 4167/4885CA9 1410/4885CYP1A2 1675/4885
US-10450290-B2 Treprostinil derivative compounds and methods of using same PTGIS, PTGIR, PTGER3 CA1 3025/4885CA9 1651/4885CYP1A2 54/4885

“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.