SCHEMBL21165548

SCHEMBL21165548

CCOC(=O)[C@@H]1CCN(OC(=O)C(F)(F)F)C[C@@H]1OC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 7/20 0.33
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
FKBP1A P62942 2/20 0.32

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
SCHEMBL20300377 0.77 MAPT (0.53) POLBMAPTALDH1A1KDM4EMEN1
SCHEMBL21640205 0.76 MAPT (0.40) POLBMAPTALDH1A1KDM4EMEN1
SCHEMBL2248826 0.75 ALDH1A1 (0.44) MAPTALDH1A1MEN1TSHRKMT2A
SCHEMBL19877231 0.75 ALDH1A1 (0.44) MAPTALDH1A1MEN1TSHRKMT2A
SCHEMBL2250472 0.75 ALDH1A1 (0.44) MAPTALDH1A1MEN1TSHRKMT2A
SCHEMBL3430613 0.75 MAPT (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL3011888 0.74 POLB (0.37) POLBMAPTALDH1A1KDM4EMEN1
SCHEMBL5772842 0.72 NPC1 (0.30) KMT2A
SCHEMBL4044055 0.72 NPC1 (0.30) KMT2A
SCHEMBL27852285 0.69 DPP4 (0.32)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414775-B2 Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease MERCK SHARP & DOHME CORP. (US) 2019-09-17 US disclosed
US-10414774-B2 Compound useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolc disease MERCK SHARP & DOHME CORP. (US) 2019-09-17 US disclosed
US-20190218224-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE MERCK SHARP & DOHME CORP. (US) 2019-07-18 US disclosed
US-20190218223-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE MERCK SHARP & DOHME CORP. (US) 2019-07-18 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 (4 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-10414775-B2 Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease CYP27A1, CYP7A1, CYP7B1 POLB 3303/4885MAPT 3177/4885ALDH1A1 432/4885
US-20190218224-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE CYP27A1, CYP7B1, CYP7A1 POLB 3123/4885MAPT 2718/4885ALDH1A1 355/4885
US-20190218223-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE CYP27A1, CYP7B1, CYP7A1 POLB 3332/4885MAPT 2906/4885ALDH1A1 334/4885
US-10414774-B2 Compound useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolc disease CYP27A1, CYP7B1, SLC10A1 POLB 3731/4885MAPT 3076/4885ALDH1A1 398/4885

“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.