SCHEMBL19876996

SCHEMBL19876996

COC(=O)C1CCN(OC(=O)C(F)(F)F)C(C)C1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
PDK2 Q15119 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA7 P36544 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PKM P14618 1/20 0.32
MMP1 P03956 1/20 0.31
ADAM17 P78536 1/20 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
SCHEMBL6209477 0.79 SMN1; SMN2 (0.49) SMN1; SMN2TP53ALDH1A1MAPTTDP1
SCHEMBL22068553 0.72 TP53 (0.47) SMN1; SMN2TP53ALDH1A1MAPTPOLB
SCHEMBL16688562 0.72 TP53 (0.47) SMN1; SMN2TP53ALDH1A1MAPTPOLB
SCHEMBL25819996 0.70 TP53 (0.46) SMN1; SMN2TP53ALDH1A1MAPTPOLB
SCHEMBL16701867 0.69 TP53 (0.45) SMN1; SMN2TP53ALDH1A1MAPTPOLB
SCHEMBL29192026 0.69
SCHEMBL4192023 0.67 DPP4 (0.33)
SCHEMBL17802980 0.67 SMN1; SMN2 (0.43) SMN1; SMN2TP53ALDH1A1MAPTTDP1
SCHEMBL16399053 0.67 DPP4 (0.33)
SCHEMBL4189545 0.67 DPP4 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3496715-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
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-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-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-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
EP-3496715-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE Merck Sharp & Dohme Corp. (US) 2019-06-19 EP disclosed
EP-3496716-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLIC DISEASE Merck Sharp & Dohme Corp. (US) 2019-06-19 EP 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
WO-2018034918-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

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 SMN1; SMN2 4062/4885TP53 4804/4885ALDH1A1 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 SMN1; SMN2 3923/4885TP53 4631/4885ALDH1A1 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 SMN1; SMN2 3959/4885TP53 4652/4885ALDH1A1 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 SMN1; SMN2 4077/4885TP53 4725/4885ALDH1A1 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.