SCHEMBL2250472

SCHEMBL2250472

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 3/20 0.40
HPGD P15428 1/20 0.40
RECQL P46063 1/20 0.39
EPHX1 P07099 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
NR1H2 P55055 1/20 0.38
GAA P10253 2/20 0.38
PIK3CD O00329 1/20 0.37

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
SCHEMBL19877231 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL2248826 1.00 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL17920095 0.90 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL19798977 0.90 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL17756103 0.89 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL20411051 0.88 NR1H2 (0.43) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL17032294 0.88 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL7030224 0.88 ALDH1A1 (0.41) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL26093109 0.85 MEN1 (0.41) ALDH1A1MEN1KMT2ATSHRMAPT
SCHEMBL12723118 0.85 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3496716-B1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME (US) 2021-11-03 EP disclosed
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-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
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
WO-2018034917-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE MERCK SHARP & DOHME CORP. (US) 2018-02-22 WO disclosed
US-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY IRM LLC (BM) 2011-08-04 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 (5 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-20110190263-A1 COMPOUNDS AND COMPOSITIONS AS MODULATORS OF GPR119 ACTIVITY GPR119, GPR65, GPR39 ALDH1A1 1462/4885MEN1 2808/4885KMT2A 3447/4885
US-10414775-B2 Compounds useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolic disease CYP27A1, CYP7A1, CYP7B1 ALDH1A1 432/4885MEN1 3340/4885KMT2A 3614/4885
US-20190218224-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE CYP27A1, CYP7B1, CYP7A1 ALDH1A1 355/4885MEN1 2059/4885KMT2A 4082/4885
US-20190218223-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE CYP27A1, CYP7B1, CYP7A1 ALDH1A1 334/4885MEN1 1945/4885KMT2A 4179/4885
US-10414774-B2 Compound useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolc disease CYP27A1, CYP7B1, SLC10A1 ALDH1A1 398/4885MEN1 1846/4885KMT2A 4091/4885

“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.