SCHEMBL7103229

SCHEMBL7103229

CCS(=O)(=O)NC(C(=O)NCc1ccc(OCC#CC2CC2)c(OC)c1)C(C)C

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2C9 P11712 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL7101411 0.92 MEN1 (0.51) MEN1KMT2AMAPK1ALDH1A1POLB
SCHEMBL7101839 0.83 MEN1 (0.49) MEN1KMT2AMAPK1ALDH1A1TP53
SCHEMBL7095672 0.83 MEN1 (0.48) MEN1KMT2AMAPK1ALDH1A1RAB9A
SCHEMBL7095676 0.83 MEN1 (0.48) MEN1KMT2AMAPK1ALDH1A1RAB9A
SCHEMBL7104691 0.83 KMT2A (0.48) MEN1KMT2AMAPK1ALDH1A1POLB
SCHEMBL7098173 0.83 KMT2A (0.48) MEN1KMT2AMAPK1ALDH1A1POLB
SCHEMBL7074832 0.82 LMNA (0.40) MEN1KMT2APOLBTP53RAB9A
SCHEMBL7015773 0.80 RAB9A (0.57) MEN1KMT2AMAPK1ALDH1A1RAB9A
SCHEMBL7015776 0.80 RAB9A (0.57) MEN1KMT2AMAPK1ALDH1A1RAB9A
SCHEMBL5159068 0.79 MEN1 (0.43) MEN1KMT2AMAPK1ALDH1A1POLB

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
US-20030224940-A1 Alpha-sulfin-and alpha-sulfonamino acid amide derivatives SYNGENTA CROP PROTECTION, INC. 2003-12-04 US disclosed
EP-1272461-A1 ALPHA-SULFIN- AND ALPHA-SULFONAMINO ACID AMIDE DERIVATIVES Syngenta Participations AG (CH) 2003-01-08 EP disclosed
WO-2001079160-A1 ALPHA-SULFIN- AND ALPHA-SULFONAMINO ACID AMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2001-10-25 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-20030224940-A1 Alpha-sulfin-and alpha-sulfonamino acid amide derivatives STS, ARSA, SULT2A1 MEN1 2787/4885KMT2A 1753/4885MAPK1 2155/4885

“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.