SCHEMBL19889984

SCHEMBL19889984

N#Cc1cnc2c(F)c(C(F)(F)F)ccc2c1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 14/20 0.38
▸ MAP3K8 P41279 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ EGFR P00533 2/20 0.33
▸ NR1H2 P55055 1/20 0.33
▸ NR1H3 Q13133 1/20 0.33
▸ PGR P06401 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ LRRK2 Q5S007 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
SCHEMBL19877781 0.82 CYP11B2 (0.41) MAP3K8CYP11B2EGFRERBB2
SCHEMBL19889983 0.82 CYP11B2 (0.38) MAP3K8CYP11B2EGFRERBB2
SCHEMBL1124839 0.81 NR1H2 (0.47) ARNR1H2NR1H3PGR
SCHEMBL19877026 0.79 CYP11B2 (0.36) MAP3K8CYP11B2EGFR
SCHEMBL19889979 0.77 CYP11B2 (0.39) MAP3K8CYP11B2EGFRERBB2
SCHEMBL19877059 0.76 SRC (0.41) MAP3K8EGFRERBB2
SCHEMBL23301099 0.74 MAP3K8 (0.39) ARMAP3K8EGFRNR1H2NR1H3
SCHEMBL29656430 0.74 MAP3K8 (0.39) ARMAP3K8EGFRNR1H2NR1H3
SCHEMBL19889931 0.74 SLC22A12 (0.33) MAP3K8CYP11B2EGFRERBB2
SCHEMBL19889938 0.73 P2RX3 (0.40) CYP11B2EGFRERBB2

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
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-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-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
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 (2 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-20190218223-A1 COMPOUNDS USEFUL FOR ALTERING THE LEVELS OF BILE ACIDS FOR THE TREATMENT OF DIABETES AND CARDIOMETABOLC DISEASE CYP27A1, CYP7B1, CYP7A1 AR 3228/4885MAP3K8 784/4885CYP11B2 8/4885
US-10414774-B2 Compound useful for altering the levels of bile acids for the treatment of diabetes and cardiometabolc disease CYP27A1, CYP7B1, SLC10A1 AR 3348/4885MAP3K8 767/4885CYP11B2 8/4885

“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.

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