SCHEMBL15445213

SCHEMBL15445213

COCC(c1ccc(F)cc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.43
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
TRPA1 O75762 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
MITF O75030 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 2/20 0.35

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
SCHEMBL25704721 1.00 AOC3 (0.43) AOC3SLC6A2SLC6A4SLC6A3IDO1
SCHEMBL17084072 1.00 AOC3 (0.43) AOC3SLC6A2SLC6A4SLC6A3IDO1
SCHEMBL2270719 0.90 AOC3 (0.43) AOC3SLC6A2SLC6A4SLC6A3IDO1
SCHEMBL20459581 0.83 SLC6A2 (0.37) AOC3SLC6A2SLC6A4SLC6A3IDO1
SCHEMBL12120641 0.82 AOC3 (0.39) AOC3SLC6A2SLC6A4SLC6A3IDO1
SCHEMBL17084071 0.82 ALDH1A1 (0.38) MAOAMAOBTAAR1ALDH1A1KMT2A
SCHEMBL17084066 0.82 ALDH1A1 (0.38) MAOAMAOBTAAR1ALDH1A1KMT2A
SCHEMBL17084079 0.82 ALDH1A1 (0.38) MAOAMAOBTAAR1ALDH1A1KMT2A
SCHEMBL17086661 0.79 AOC3 (0.42) AOC3SLC6A2SLC6A4SLC6A3IDO1
SCHEMBL16224877 0.79 AOC3 (0.42) AOC3SLC6A2SLC6A4SLC6A3IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023115142-A1 ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 WO disclosed
WO-2023115150-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 WO disclosed
US-10759805-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2020-09-01 US disclosed
US-9745307-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-29 US disclosed
US-8637549-B2 Pyridons as PDK1 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-28 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 (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-10759805-B2 Compounds that are ERK inhibitors MAPK1, MAPK4, MAP3K1 AOC3 4234/4885SLC6A2 4180/4885SLC6A4 4197/4885

“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.