SCHEMBL7536944

SCHEMBL7536944

Cc1cc2oc(=O)n(C)c2cc1S(=O)(=O)Nc1ccccc1F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
PKM P14618 12/20 0.55
POLB P06746 4/20 0.53
GAA P10253 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TSHR P16473 2/20 0.51
ATM Q13315 1/20 0.50
HTT P42858 2/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.45
GFER P55789 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TP53 P04637 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
SCHEMBL7537749 0.88 POLB (0.52) MEN1KMT2APKMPOLBGAA
SCHEMBL7535668 0.88 TSHR (0.55) MEN1KMT2APKMPOLBGAA
SCHEMBL7501832 0.87 MEN1 (0.56) MEN1KMT2APKMPOLBGAA
SCHEMBL7535414 0.86 MEN1 (0.57) MEN1KMT2APKMPOLBGAA
SCHEMBL7538485 0.82 PKM (0.72) MEN1KMT2APKMPOLBSMN1; SMN2
SCHEMBL7536747 0.82 KMT2A (0.57) MEN1KMT2APKMPOLBGAA
SCHEMBL7541615 0.81 MEN1 (0.77) MEN1KMT2APKMPOLBGAA
SCHEMBL7502466 0.81 PKM (0.55) MEN1KMT2APKMPOLBGAA
SCHEMBL7537618 0.81 PKM (0.68) MEN1KMT2APKMPOLBGAA
SCHEMBL7508276 0.81 MEN1 (0.62) MEN1KMT2APKMPOLBGAA

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.