SCHEMBL7098173

SCHEMBL7098173

CCS(=O)(=O)NC(C(=O)NCc1ccc(OCC#Cc2ccc(Br)cc2)c(OC)c1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.36
GRK2 P25098 1/20 0.36
ACACB O00763 1/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL7103714 0.92 KMT2A (0.49) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7101839 0.92 MEN1 (0.49) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7095676 0.92 MEN1 (0.48) KMT2AMEN1MAPK1ALDH1A1HTT
SCHEMBL7104691 0.92 KMT2A (0.48) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7095672 0.92 MEN1 (0.48) KMT2AMEN1MAPK1ALDH1A1HTT
SCHEMBL7103712 0.84 KMT2A (0.50) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7028880 0.84 SMN1; SMN2 (0.39) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL7099648 0.84 MEN1 (0.49) KMT2AMEN1MAPK1ALDH1A1LMNA
SCHEMBL7098125 0.84 KMT2A (0.49) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL5157879 0.83 KMT2A (0.39) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1

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 KMT2A 1753/4885MEN1 2787/4885MAPK1 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.