SCHEMBL17276159

SCHEMBL17276159

OC1(c2ccccc2C(F)(F)F)CCc2cc(F)c(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.39
CYP11B2 P19099 4/20 0.39
CYP11B1 P15538 3/20 0.39
PDK2 Q15119 4/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP17A1 P05093 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD11B1 P28845 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
SCHEMBL17276351 0.83 PDK2 (0.44) HDAC4CYP11B2CYP11B1PDK2HDAC3
SCHEMBL17275591 0.81 HDAC4 (0.40) HDAC4CYP11B2CYP11B1HDAC3HDAC1
SCHEMBL6285519 0.79 HDAC4 (0.44) HDAC4CYP11B2CYP11B1PDK2HDAC3
SCHEMBL17276114 0.78 PDK2 (0.39) HDAC4CYP11B2CYP11B1PDK2
SCHEMBL17276110 0.76 HDAC4 (0.43) HDAC4CYP11B2CYP11B1PDK2HDAC3
SCHEMBL17276193 0.74 PDK2 (0.45) HDAC4PDK2HDAC3HDAC1HDAC2
SCHEMBL17276348 0.71 PDK2 (0.52) HDAC4PDK2CYP3A4
SCHEMBL17276288 0.66 PDK2 (0.41) HDAC4PDK2
SCHEMBL23003719 0.63 KDM1A (0.44) CYP11B2PDK2CYP17A1CYP3A4
SCHEMBL30491077 0.63 HDAC4 (0.41) HDAC4PDK2HDAC3HDAC1HDAC2

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
EP-3145915-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC (US) 2025-03-19 EP disclosed
US-10000454-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME (US) 2018-06-19 US disclosed
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2017-03-23 US disclosed
WO-2015176267-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2015-11-26 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-10000454-B2 Antidiabetic tricyclic compounds GPR119, GPR65, GPR52 HDAC4 549/4885CYP11B2 295/4885CYP11B1 285/4885
US-20170081287-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 HDAC4 549/4885CYP11B2 295/4885CYP11B1 285/4885

“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.