SCHEMBL21493492

SCHEMBL21493492

CC1(C)OB(c2cc3c(c(C(F)(F)F)c2)NC(=O)CC3)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.35
CYP11B1 P15538 5/20 0.33
CYP11B2 P19099 5/20 0.33
CYP19A1 P11511 3/20 0.33
CYP1A2 P05177 1/20 0.33
ULK1 O75385 2/20 0.32
TRPV1 Q8NER1 1/20 0.32
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 1/20 0.31
F2 P00734 1/20 0.31
F11 P03951 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL18189341 0.88 LIPG (0.34) PGRARF2F11PRSS1
SCHEMBL21493489 0.83 KIF11 (0.39) KIF11CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL28630852 0.82 AR (0.32) CYP1A2ARLPLLIPG
SCHEMBL21382167 0.81 CYP11B1 (0.35) CYP11B1CYP11B2CYP19A1CYP1A2LPL
SCHEMBL29980683 0.72 CRBN (0.43)
SCHEMBL14704636 0.72 CRBN (0.43)
SCHEMBL27139425 0.72 CA9 (0.42) KIF11CYP11B1CYP11B2CYP19A1CYP1A2
SCHEMBL422134 0.71 PDE3B (0.44) KIF11CYP11B1CYP11B2CYP1A2
SCHEMBL27144838 0.70 CYP11B1 (0.43) KIF11CYP11B1CYP11B2CYP1A2ULK1
SCHEMBL15288616 0.70 LIPG (0.40) LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3768675-B1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORP (KR) 2026-04-01 EP disclosed
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2023-10-10 US disclosed
US-20210317110-A1 TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2021-10-14 US disclosed
US-10995086-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same YUHAN CORPORATION (KR) 2021-05-04 US disclosed
CN-111886233-A Novel triazolone derivative or salt thereof and pharmaceutical composition comprising the same 柳韩洋行 2020-11-03 CN disclosed
US-20190322655-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME YUHAN CORPORATION (KR) 2019-10-24 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 (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-20190322655-A1 NOVEL TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SLC10A1, VAPB, VAT1 KIF11 2075/4885CYP11B1 366/4885CYP11B2 667/4885
US-20210317110-A1 TRIAZOLONE DERIVATIVES OR SALTS THEREOF AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME SLC10A1, VAT1, LIPC KIF11 2239/4885CYP11B1 449/4885CYP11B2 885/4885
US-11780830-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, LIPC KIF11 2239/4885CYP11B1 449/4885CYP11B2 885/4885
US-10995086-B2 Triazolone derivatives or salts thereof and pharmaceutical compositions comprising the same SLC10A1, VAT1, VAPB KIF11 2215/4885CYP11B1 434/4885CYP11B2 848/4885

“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.