SCHEMBL17276192

SCHEMBL17276192

COC(=O)c1cc2c(cc1F)C(C)(C)CC=C2OS(=O)(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
EPAS1 Q99814 1/20 0.32
RARB P10826 2/20 0.32
RARG P13631 2/20 0.32
RXRA P19793 2/20 0.32
RARA P10276 1/20 0.32
PKM P14618 2/20 0.31
CXCR2 P25025 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
SCHEMBL6292935 0.82 PDK2 (0.45) PDK2HSD17B10RARBRARGRXRA
SCHEMBL6810766 0.77 RARA (0.38) PDK2RARBRARGRXRARARA
SCHEMBL8433747 0.77 RARA (0.50) PDK2RARBRARGRARA
SCHEMBL6810772 0.77 RARA (0.49) PDK2ALDH1A1RARBRARGRXRA
SCHEMBL6810768 0.77 RARA (0.49) PDK2ALDH1A1RARBRARGRXRA
SCHEMBL8664382 0.76 RARB (0.44) PDK2RARBRARGRXRARARA
SCHEMBL2317156 0.75 SCN9A (0.34) PKM
SCHEMBL13613859 0.74 CYP26A1 (0.34) PDK2RARBRARGRARA
SCHEMBL24362710 0.73 ALDH1A1 (0.34) ALDH1A1HPGDTSHRHSD17B10EPAS1
SCHEMBL29599432 0.73 ALDH1A1 (0.34) ALDH1A1HPGDTSHRHSD17B10EPAS1

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 3 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
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 (1 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 PDK2 1684/4885ALDH1A1 3081/4885HPGD 2841/4885

“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.