SCHEMBL7539766

SCHEMBL7539766

CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc21

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PKM P14618 8/20 0.55
POLB P06746 4/20 0.55
ALDH1A1 P00352 3/20 0.52
USP2 O75604 1/20 0.52
TSHR P16473 2/20 0.50
SCN9A Q15858 1/20 0.50
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 3/20 0.48
HTT P42858 2/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7502152 0.85 MEN1 (0.77) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL7539900 0.84 PKM (0.50) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL7543144 0.83 PKM (0.59) MEN1KMT2APKMPOLBLMNA
SCHEMBL7541359 0.83 PKM (0.59) MEN1KMT2APKMPOLBLMNA
SCHEMBL7535895 0.80 ALDH1A1 (0.77) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL7508107 0.79 TSHR (0.47) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL7534545 0.77 MEN1 (0.73) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL7501872 0.77 ALDH1A1 (0.55) MEN1KMT2APKMALDH1A1USP2
SCHEMBL12406984 0.76 PKM (0.80) MEN1KMT2APKMPOLBALDH1A1
SCHEMBL26574043 0.74 RECQL (0.52) MEN1KMT2APKMPOLBALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE AGIOS PHARMACEUTICALS INC (US) 2017-01-12 US disclosed
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE AGIOS PHARMACEUTICALS, INC (US) 2014-09-04 US disclosed
US-8501953-B2 PKM2 modulators for use in the treatment of cancer AGIOS PHARMACEUTICALS, INC (US) 2013-08-06 US disclosed
US-20120122849-A1 PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. 2012-05-17 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 (3 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-20120122849-A1 PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER PDK2, PDK1, PDK3 MEN1 3231/4885KMT2A 429/4885PKM 5/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 MEN1 4239/4885KMT2A 848/4885PKM 11/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 MEN1 4239/4885KMT2A 848/4885PKM 11/4885

“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.