SCHEMBL18158928

SCHEMBL18158928

CNC(=O)C(CS(=O)(=O)O)NC(=O)c1cnc(SCl)c([N+](=O)[O-])c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 2/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 2/20 0.33
POLB P06746 2/20 0.33
CXCR2 P25025 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
JAK2 O60674 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
BCL2 P10415 1/20 0.32
HTT P42858 1/20 0.31
CCR1 P32246 1/20 0.31
LMNA P02545 1/20 0.31
RECQL P46063 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CASP6 P55212 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL18158922 0.79 PSMD14 (0.42) KMT2AALDH1A1MAPTMAPK1MEN1
SCHEMBL18158924 0.67 MAPT (0.38) KMT2AALDH1A1MAPTMAPK1MEN1
SCHEMBL18158939 0.65 PSMD14 (0.38) KMT2AALDH1A1MAPTMEN1GAA
SCHEMBL18158925 0.64 SMN1; SMN2 (0.41) KMT2AALDH1A1MAPTMEN1POLB
SCHEMBL18158949 0.63 MEN1 (0.54) KMT2AALDH1A1MAPTMEN1GAA
SCHEMBL18158923 0.63 VCAM1 (0.46) KMT2AALDH1A1MAPTMEN1HPGD
SCHEMBL31030192 0.61 MAPT (0.43) KMT2AALDH1A1MAPTMEN1GAA
SCHEMBL31030226 0.61 GPX4 (0.40) KMT2AALDH1A1MAPTMEN1GAA
SCHEMBL29859154 0.59 TSHR (0.47) ALDH1A1MAPTGAASMN1; SMN2LMNA
SCHEMBL18397215 0.59 TSHR (0.47) ALDH1A1MAPTGAASMN1; SMN2LMNA

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-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) 2016-10-20 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-20160304459-A1 NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR VIP, MRPL21, THEM6 CLPP 1730/4885KMT2A 4096/4885ALDH1A1 4185/4885

“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.