SCHEMBL12633839

SCHEMBL12633839

O=c1[nH]c2ccc(S(=O)(=O)NCc3ccccc3)cc2o1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.72
ALPL P05186 3/20 0.62
ALPI P09923 1/20 0.62
ALPG P10696 1/20 0.62
PKM P14618 1/20 0.60
POLB P06746 2/20 0.58
MEN1 O00255 2/20 0.57
MAPT P10636 2/20 0.57
LMNA P02545 1/20 0.57
ALDH1A1 P00352 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
SCHEMBL30864995 0.79 PDE3B (0.63) KMT2APKMMEN1LMNAALDH1A1
SCHEMBL27083368 0.79 PDE3B (0.63) KMT2APKMMEN1LMNAALDH1A1
SCHEMBL10153780 0.76 SMN1; SMN2 (0.64) KMT2AALPLALPIALPGPKM
SCHEMBL9381947 0.76 CDC7 (0.61) KMT2AMEN1MAPTLMNA
Benzene SCHEMBL29186724 0.75 POLB (0.60) KMT2AALPLALPIALPGPOLB
SCHEMBL12633842 0.73 POLB (1.00) KMT2APKMPOLBMAPTLMNA
SCHEMBL21045164 0.73 KMT2A (0.52) KMT2AALPLALPIALPGPOLB
SCHEMBL17268194 0.72 IL4I1 (0.56) KMT2APOLBMEN1MAPTLMNA
SCHEMBL30864989 0.72 PDE3B (0.63) KMT2APKMPOLBMEN1LMNA
SCHEMBL27083348 0.72 PDE3B (0.63) KMT2APKMPOLBMEN1LMNA

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-20110105477-A1 COMPOSITIONS AND METHODS RELATING TO HIV PROTEASE INHIBITION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-05-05 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-20110105477-A1 COMPOSITIONS AND METHODS RELATING TO HIV PROTEASE INHIBITION PREP, HPN, PEPD KMT2A 3756/4885ALPL 942/4885ALPI 2464/4885

“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.