SCHEMBL19990771

SCHEMBL19990771

N#Cc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.68
KMT2A Q03164 8/20 0.68
ALDH1A1 P00352 4/20 0.59
LMNA P02545 3/20 0.59
GAA P10253 3/20 0.59
HTT P42858 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
PKM P14618 2/20 0.59
TSHR P16473 2/20 0.59
MAPT P10636 2/20 0.56
PDE4A P27815 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
NR3C1 P04150 1/20 0.54
AR P10275 1/20 0.54

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
SCHEMBL29682974 0.83 MEN1 (0.77) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL395744 0.83 MEN1 (0.77) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL1396337 0.82 CYP11B1 (0.53) MEN1KMT2AMAPT
SCHEMBL31681274 0.81 MEN1 (0.73) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL2692159 0.81 KMT2A (1.00) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL5915295 0.81 MEN1 (1.00) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL16358437 0.81 MEN1 (0.73) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL12053364 0.81 MEN1 (0.73) MEN1KMT2AALDH1A1LMNAGAA
SCHEMBL10143525 0.80 MEN1 (0.59) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL14314105 0.80 POLB (0.54) LMNAMAPT

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-20180086701-A1 ENANTIOSELECTIVE SYNTHESIS OF PYRROLOINDOLE COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 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-20180086701-A1 ENANTIOSELECTIVE SYNTHESIS OF PYRROLOINDOLE COMPOUNDS PCNA, POLR2E, POLL MEN1 3599/4885KMT2A 2283/4885ALDH1A1 2929/4885

“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.