SCHEMBL15840652

SCHEMBL15840652

Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.74
POLB P06746 2/20 0.74
ALDH1A1 P00352 11/20 0.71
ALOX12 P18054 6/20 0.71
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
MAPT P10636 5/20 0.71
HTT P42858 3/20 0.71
SMN1; SMN2 Q16637 7/20 0.67
LMNA P02545 5/20 0.67
GAA P10253 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
HPGD P15428 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
TAAR1 Q96RJ0 1/20 0.51

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
SCHEMBL15840615 0.88 NPSR1 (0.73) NPSR1POLBALDH1A1ALOX12MEN1
SCHEMBL15840656 0.86 ALDH1A1 (0.78) NPSR1POLBALDH1A1ALOX12MEN1
SCHEMBL15840626 0.85 NPSR1 (0.69) NPSR1POLBALDH1A1ALOX12MEN1
SCHEMBL15840667 0.83 ALDH1A1 (1.00) NPSR1POLBALDH1A1ALOX12MEN1
SCHEMBL15840616 0.82 ALDH1A1 (0.64) NPSR1POLBALDH1A1ALOX12MEN1
SCHEMBL15840622 0.81 ALDH1A1 (1.00) NPSR1POLBALDH1A1ALOX12MEN1
SCHEMBL17066604 0.81 ALDH1A1 (0.63) NPSR1POLBALDH1A1ALOX12MEN1
SCHEMBL15840671 0.81 LMNA (0.68) NPSR1POLBALDH1A1ALOX12MEN1
SCHEMBL13453831 0.79 ALDH1A1 (0.62) NPSR1POLBALDH1A1ALOX12MEN1
SCHEMBL13454367 0.79 ALDH1A1 (0.68) NPSR1POLBALDH1A1ALOX12MEN1

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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-26 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-20140179681-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 NPSR1 3556/4885POLB 3390/4885ALDH1A1 4348/4885

“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.