SCHEMBL13800952

SCHEMBL13800952

Cc1ccc(S(=O)(=O)NC(=O)CCC(=O)NCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.70
KMT2A Q03164 2/20 0.65
ALDH1A1 P00352 3/20 0.64
USP2 O75604 1/20 0.64
L3MBTL1 Q9Y468 2/20 0.58
CA12 O43570 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
ATM Q13315 1/20 0.58
CA9 Q16790 1/20 0.58
HTT P42858 2/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.53
GAA P10253 2/20 0.53
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
APEX1 P27695 1/20 0.53
RECQL P46063 1/20 0.53

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
SCHEMBL14142894 0.85 ALDH1A1 (0.87) MAPTKMT2AALDH1A1USP2L3MBTL1
SCHEMBL5186630 0.85 ALDH1A1 (0.75) MAPTKMT2AALDH1A1L3MBTL1CA12
SCHEMBL13800951 0.82 EGFR (0.51) MAPTKMT2AALDH1A1USP2RAB9A
SCHEMBL5931119 0.81 EGFR (0.74) L3MBTL1CA12CYP1A2CYP3A4ATM
SCHEMBL6279910 0.81 EGFR (0.56) KMT2AALDH1A1RAB9ASMN1; SMN2POLB
SCHEMBL13813679 0.78 NPSR1 (0.55) MAPTKMT2AALDH1A1USP2RAB9A
SCHEMBL5931139 0.78 ALDH1A1 (0.71) KMT2AALDH1A1HTTRAB9ATDP1
SCHEMBL10993215 0.77 EGFR (0.60) SMN1; SMN2KDM4EEGFRERBB2MMP2
SCHEMBL22664684 0.77 ALDH1A1 (0.78) MAPTKMT2AALDH1A1CA12CA9
SCHEMBL25046063 0.77 ALDH1A1 (0.71) MAPTKMT2AALDH1A1L3MBTL1CYP1A2

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-20090163697-A1 Multicomponent coupling and glycopeptide synthesis with cyclic thioanhydrides THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-06-25 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-20090163697-A1 Multicomponent coupling and glycopeptide synthesis with cyclic thioanhydrides LNPEP, CLSPN, GALNT14 MAPT 4716/4885KMT2A 4163/4885ALDH1A1 4243/4885

“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.