SCHEMBL5756597

SCHEMBL5756597

CC(=O)[C@H](C[CH]CN1C(=O)c2ccccc2C1=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.42
ALDH1A1 P00352 7/20 0.41
CA12 O43570 1/20 0.40
CA9 Q16790 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
GSK3B P49841 1/20 0.37
ELANE P08246 1/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 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
SCHEMBL4774697 0.81 CASP3 (0.40) CASP3ALDH1A1CA12CA9MEN1
SCHEMBL4017572 0.68 ALDH1A1 (0.55) CASP3ALDH1A1CA12CA9MEN1
SCHEMBL8431420 0.67 CA12 (0.53) CASP3ALDH1A1CA12CA9MEN1
SCHEMBL29740350 0.67 CA12 (0.53) CASP3ALDH1A1CA12CA9MEN1
SCHEMBL16654973 0.67 ALDH1A1 (0.50) CASP3ALDH1A1CA12CA9MAPT
SCHEMBL16654972 0.67 ALDH1A1 (0.50) CASP3ALDH1A1CA12CA9MAPT
SCHEMBL9386761 0.66 ALDH1A1 (0.56) ALDH1A1CA12CA9MEN1KMT2A
SCHEMBL13873451 0.66 ALDH1A1 (0.56) ALDH1A1CA12CA9MEN1KMT2A
SCHEMBL1969539 0.66 CA12 (0.51) CASP3ALDH1A1CA12CA9MEN1
SCHEMBL1969540 0.66 CA12 (0.51) CASP3ALDH1A1CA12CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122404-A1 Novel compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-alpha-perfluoroalkylamines RHODIA CHIMIE (FR) 2006-06-08 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-20060122404-A1 Novel compounds comprising a thiocarbonyl-sulfanyl group, which can be used for the radical synthesis of-alpha-perfluoroalkylamines PFAS, CYP2F1, SULT1A1 CASP3 1332/4885ALDH1A1 367/4885CA12 2725/4885

“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.