SCHEMBL23840461

SCHEMBL23840461

COc1ncc(NC(=O)c2cc(C)nn2C(F)F)cc1S(=O)(=O)Nc1c(C)cccc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 3/20 0.39
BRAF P15056 8/20 0.38
F10 P00742 2/20 0.37
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
HIF1A Q16665 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
THRB P10828 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
IDH1 O75874 1/20 0.34

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
SCHEMBL25485987 0.88 MEN1 (0.46) PIK3C3BRAFF10MEN1ALDH1A1
SCHEMBL25486018 0.86 KDR (0.40) PIK3C3BRAFF10MEN1ALDH1A1
SCHEMBL23840635 0.83 POLB (0.42) PIK3C3BRAFMEN1ALDH1A1MAPT
SCHEMBL23840543 0.82 PIK3C3 (0.39) PIK3C3BRAFMEN1ALDH1A1MAPT
SCHEMBL23840436 0.82 MEN1 (0.45) PIK3C3BRAFMEN1ALDH1A1MAPT
SCHEMBL23840331 0.81 ALDH1A1 (0.50) PIK3C3BRAFF10MEN1ALDH1A1
SCHEMBL23840544 0.81 ALDH1A1 (0.47) PIK3C3MEN1ALDH1A1MAPTKMT2A
SCHEMBL23840470 0.81 PRMT5 (0.41) PIK3C3BRAFMEN1ALDH1A1MAPT
SCHEMBL23840628 0.80 SMN1; SMN2 (0.52) PIK3C3MEN1ALDH1A1MAPTKMT2A
SCHEMBL25485494 0.80 KCNK3 (0.52) MEN1ALDH1A1MAPTKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-05-25 US disclosed
WO-2021188907-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 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-20230159509-A1 PYRIDINESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, PPM1D PIK3C3 1399/4885BRAF 853/4885F10 4629/4885

“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.