SCHEMBL10127581

SCHEMBL10127581

CC(C)CN(C)C(=O)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.41
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
DPP4 P27487 2/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MLYCD O95822 1/20 0.31
PIK3CD O00329 2/20 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
SCHEMBL4328504 0.80 ALDH1A1 (0.37) CA1CA12CA2CA9DPP4
SCHEMBL15730421 0.80 DPP4 (0.34) DPP4PREPFAP
SCHEMBL19882799 0.80 DPP4 (0.38) CA1CA12CA2CA9DPP4
SCHEMBL26225798 0.80 CA1 (0.38) CA1CA12CA2CA9DPP4
SCHEMBL18347926 0.80 DPP4 (0.33) DPP4PREPFAPMLYCD
SCHEMBL14195448 0.78 USP2 (0.38) CA1CA12CA2CA9
SCHEMBL13003582 0.78 CA1 (0.37) CA1CA12CA2CA9
SCHEMBL16219002 0.78 DPP4 (0.32) DPP4PREPFAP
SCHEMBL25098436 0.78 DPP4 (0.33) DPP4PREPFAP
SCHEMBL11912101 0.78 CA1 (0.44) CA1CA12CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067642-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2024-02-29 US disclosed
US-11820751-B2 Urolithin derivatives and methods of use thereof VANDRIA SA (CH) 2023-11-21 US disclosed
US-11820751-B2 Urolithin derivatives and methods of use thereof VANDRIA SA (CH) 2023-11-21 US disclosed
US-20230331722-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. 2023-10-19 US disclosed
US-11767330-B2 Citrate salt, pharmaceutical compositions, and methods of making and using the same FOGHORN THERAPEUTICS INC. (US) 2023-09-26 US disclosed
US-11739074-B2 Ras inhibitors Revolution Medicines, Inc. (US) 2023-08-29 US disclosed
US-11732005-B2 Peptidomimetic proteasome inhibitors CORNELL UNIVERSITY (US) 2023-08-22 US disclosed
US-11732005-B2 Peptidomimetic proteasome inhibitors CORNELL UNIVERSITY (US) 2023-08-22 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2023-07-27 US disclosed
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-07-07 US disclosed
US-20100331325-A1 NOVEL SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN, PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES CID-NUNEZ JOSE MARIA 2010-12-30 US disclosed
US-7799785-B2 Substituted tetracyclic tetahydrofuran, pyrrolidine and tetrahydrothiophene derivatives JANSSEN PHARMACEUTICA NV (BE) 2010-09-21 US disclosed
US-20090023721-A1 Novel Substituted Tetracyclic Tetrahydrofuran, Pyrrolidine and Tetrahydrothiophene Derivatives and Their Use as a Medicament MEGENS ANTONIUS ADRIANUS HENDR 2009-01-22 US disclosed
US-20080287450-A1 Novel Substituted Tetracyclic Tetahydrofuran, Pyrrolidine And Tetrahydrothiophene Derivatives JANSSEN PHARMACEUTICA, NV (BE) 2008-11-20 US disclosed
US-7361679-B2 2-phenyl-3-heteroarylpropionic acid derivative or salt thereof and medicine containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
US-7361679-B2 2-phenyl-3-heteroarylpropionic acid derivative or salt thereof and medicine containing the same KAKEN PHARMACEUTICAL CO., LTD. (JP) 2008-04-22 US disclosed
EP-1697371-B1 AZABICYCLIC HETEROCYCLES AS CANNABINOID RECEPTOR MODULATORS BRISTOL MYERS SQUIBB CO (US) 2007-04-25 EP disclosed
US-7176205-B2 Bi-pyridinyl derivatives as NK-1 antagonists HOFFMANN-LA ROCHE INC. (US) 2007-02-13 US disclosed
CN-1153177-A 13-substituted milbemycin 5-oxime derivatives their preparation and their use against insects and other pests SANKYO CO (JP) 1997-07-02 CN 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 (11 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-20100331325-A1 NOVEL SUBSTITUTED TETRACYCLIC TETRAHYDROFURAN, PYRROLIDINE AND TETRAHYDROTHIOPHENE DERIVATIVES HTR2C, TPH2, HTR2A CA1 3970/4885CA12 4625/4885CA2 3203/4885
US-20090023721-A1 Novel Substituted Tetracyclic Tetrahydrofuran, Pyrrolidine and Tetrahydrothiophene Derivatives and Their Use as a Medicament HTR2C, HTR5A, TPH2 CA1 3811/4885CA12 4514/4885CA2 3028/4885
US-11739074-B2 Ras inhibitors KRAS, NRAS, HRAS CA1 4562/4885CA12 3895/4885CA2 3772/4885
US-20230331722-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 CA1 4493/4885CA12 3086/4885CA2 4669/4885
US-11767330-B2 Citrate salt, pharmaceutical compositions, and methods of making and using the same CS, SMARCC2, SMARCC1 CA1 1122/4885CA12 944/4885CA2 349/4885
US-20230233569-A1 METHODS FOR DELAYING, PREVENTING, AND TREATING ACQUIRED RESISTANCE TO RAS INHIBITORS KRAS, HRAS, MTOR CA1 4070/4885CA12 4624/4885CA2 3441/4885
US-11732005-B2 Peptidomimetic proteasome inhibitors PSMB1, PSMB3, PSMB11 CA1 4274/4885CA12 4556/4885CA2 4618/4885
US-20110166116-A1 NEW COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS RELATING THERETO MC2R, REN, CYP11B2 CA1 2772/4885CA12 2572/4885CA2 2264/4885
US-11820751-B2 Urolithin derivatives and methods of use thereof NLN, UQCRC2, TUFM CA1 1079/4885CA12 2546/4885CA2 2359/4885
US-20080287450-A1 Novel Substituted Tetracyclic Tetahydrofuran, Pyrrolidine And Tetrahydrothiophene Derivatives TPH2, HTR2C, TPH1 CA1 3865/4885CA12 4540/4885CA2 2819/4885
US-20240067642-A1 COMPOUNDS AND USES THEREOF VHL, TFEB, BECN1 CA1 4493/4885CA12 3086/4885CA2 4669/4885

“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.