SCHEMBL6802653

SCHEMBL6802653

CCCCCCCCNC(=N)NS(=O)(=O)c1sc(Cl)cc1B(O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
TSHR P16473 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.35
EPHX1 P07099 5/20 0.34
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 2/20 0.32
FBP1 P09467 4/20 0.32
CA2 P00918 1/20 0.32
TBXA2R P21731 1/20 0.31

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
SCHEMBL6802725 0.76 KMT2A (0.66) MEN1TSHRKMT2AHTTSMN1; SMN2
SCHEMBL6800094 0.73
SCHEMBL7562968 0.69 CDK1 (0.44) TSHRHTTSMN1; SMN2CYP3A4CYP2C19
SCHEMBL7562558 0.64 CYP2C19 (0.32) TSHRKMT2ASMN1; SMN2CYP3A4CYP2C19
SCHEMBL10960588 0.62 EPHX1 (0.58) TSHREPHX1ALDH1A1
SCHEMBL10960416 0.62 EPHX1 (0.58) TSHREPHX1ALDH1A1
SCHEMBL10962041 0.62 EPHX1 (0.58) TSHREPHX1ALDH1A1
SCHEMBL1272676 0.62 EPHX1 (0.58) TSHREPHX1ALDH1A1
SCHEMBL1273855 0.62 EPHX1 (0.58) TSHREPHX1ALDH1A1
SCHEMBL22622093 0.62 EPHX1 (0.58) TSHREPHX1ALDH1A1

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-20040010142-A1 Novel process NOVO NORDISK A/S (DK) 2004-01-15 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-20040010142-A1 Novel process UGT1A1, CYP4X1, CYP4B1 MEN1 967/4885TSHR 3865/4885KMT2A 4646/4885

“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.