SCHEMBL7537864

SCHEMBL7537864

Cn1c(=O)sc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc21

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.74
SMN1; SMN2 Q16637 4/20 0.65
TP53 P04637 3/20 0.65
PKM P14618 3/20 0.65
THRB P10828 1/20 0.64
POLB P06746 2/20 0.57
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
SIRT6 Q8N6T7 1/20 0.53
BRD1 O95696 1/20 0.48
BRPF1 P55201 1/20 0.48
TRIM24 O15164 2/20 0.48
ALDH1A1 P00352 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
SCHEMBL7507424 0.93 MAPT (0.64) MAPTSMN1; SMN2TP53PKMTHRB
SCHEMBL7542658 0.83 SMN1; SMN2 (0.69) MAPTSMN1; SMN2TP53PKMTHRB
SCHEMBL7535410 0.82 MAPT (0.67) MAPTSMN1; SMN2TP53PKMTHRB
SCHEMBL29846089 0.82 MAPT (0.53) MAPTSMN1; SMN2TP53PKMTHRB
SCHEMBL28830959 0.82 MAPT (0.53) MAPTSMN1; SMN2TP53PKMTHRB
SCHEMBL7538604 0.80 MAPT (0.64) MAPTSMN1; SMN2TP53PKMTHRB
SCHEMBL7536063 0.79 MAPT (0.62) MAPTSMN1; SMN2TP53PKMTHRB
SCHEMBL26538781 0.78 MAPT (0.56) MAPTSMN1; SMN2TP53PKMTHRB
SCHEMBL7542725 0.77 TP53 (0.64) MAPTSMN1; SMN2TP53PKMTHRB
SCHEMBL7504112 0.77 TRIM24 (0.64) MAPTSMN1; SMN2TP53PKMTHRB

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 MAPT 3769/4885SMN1; SMN2 4240/4885TP53 302/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 MAPT 2681/4885SMN1; SMN2 1229/4885TP53 722/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 MAPT 2681/4885SMN1; SMN2 1229/4885TP53 722/4885

“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.