SCHEMBL7501543

SCHEMBL7501543

COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2sc(=O)n(C)c2c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.70
THRB P10828 2/20 0.59
MAPT P10636 1/20 0.59
NPSR1 Q6W5P4 2/20 0.53
LMNA P02545 1/20 0.53
HTT P42858 1/20 0.53
BRD4 O60885 2/20 0.51
USP2 O75604 1/20 0.51
ALPL P05186 4/20 0.50
TRIM24 O15164 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
TSHR P16473 1/20 0.49
WDR5 P61964 1/20 0.48
BRPF1 P55201 1/20 0.48
HPGD P15428 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
SCHEMBL7535848 0.92 TP53 (0.71) TP53THRBMAPTNPSR1LMNA
SCHEMBL7504149 0.88 SMN1; SMN2 (0.61) TP53THRBMAPTNPSR1LMNA
SCHEMBL7507915 0.87 TP53 (0.60) TP53THRBMAPTNPSR1LMNA
SCHEMBL7508950 0.84 TP53 (0.57) TP53THRBMAPTNPSR1LMNA
SCHEMBL15999617 0.79 TP53 (0.70) TP53NPSR1LMNAHTTBRD4
SCHEMBL7508851 0.77 TP53 (0.69) TP53THRBNPSR1LMNAHTT
SCHEMBL12976980 0.76 ALPL (0.53) TP53THRBMAPTLMNAHTT
SCHEMBL95201 0.75 NPSR1 (0.69) TP53NPSR1LMNAHTTUSP2
SCHEMBL10089750 0.75 LMNA (0.59) TP53NPSR1LMNAHTTUSP2
SCHEMBL7501763 0.75 SMN1; SMN2 (0.58) TP53THRBMAPTNPSR1LMNA

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 8 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-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-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-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
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 TP53 302/4885THRB 313/4885MAPT 3769/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 TP53 722/4885THRB 368/4885MAPT 2681/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 TP53 722/4885THRB 368/4885MAPT 2681/4885

“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.