SCHEMBL13813679

SCHEMBL13813679

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.55
EGFR P00533 5/20 0.50
ERBB2 P04626 4/20 0.50
ALDH1A1 P00352 5/20 0.49
USP2 O75604 1/20 0.49
LMNA P02545 3/20 0.48
ALB P02768 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL6279910 0.83 EGFR (0.56) NPSR1EGFRERBB2ALDH1A1LMNA
SCHEMBL13800951 0.81 EGFR (0.51) NPSR1EGFRERBB2ALDH1A1USP2
SCHEMBL8634991 0.80 EGFR (0.56) NPSR1EGFRERBB2ALDH1A1LMNA
SCHEMBL5931139 0.80 ALDH1A1 (0.71) NPSR1EGFRERBB2ALDH1A1LMNA
SCHEMBL29165183 0.79 ALDH1A1 (0.59) NPSR1EGFRERBB2ALDH1A1LMNA
SCHEMBL13800952 0.78 MAPT (0.70) EGFRERBB2ALDH1A1USP2TDP1
SCHEMBL8545310 0.75 EGFR (0.60) NPSR1EGFRERBB2ALDH1A1LMNA
SCHEMBL7969578 0.75 EGFR (0.60) NPSR1EGFRERBB2ALDH1A1LMNA
SCHEMBL28405273 0.75 EGFR (0.60) NPSR1EGFRERBB2ALDH1A1LMNA
SCHEMBL9178660 0.74 ALDH1A1 (0.61) EGFRERBB2ALDH1A1LMNAALB

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 NPSR1 981/4885EGFR 3361/4885ERBB2 2653/4885

“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.