SCHEMBL7507915

SCHEMBL7507915

CCn1c(=O)sc2ccc(NS(=O)(=O)c3cc(Cl)ccc3OC)cc21

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.60
NPSR1 Q6W5P4 2/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
TRAF6 Q9Y4K3 1/20 0.49
BRD4 O60885 2/20 0.48
USP2 O75604 1/20 0.48
ALPL P05186 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TRIM24 O15164 1/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
THRB P10828 1/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 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
SCHEMBL7501763 0.89 SMN1; SMN2 (0.58) TP53NPSR1LMNAHTTBRD4
SCHEMBL7501543 0.87 TP53 (0.70) TP53NPSR1LMNAHTTBRD4
SCHEMBL7508950 0.85 TP53 (0.57) TP53NPSR1LMNAHTTBRD4
SCHEMBL7535848 0.81 TP53 (0.71) TP53NPSR1LMNAHTTBRD4
SCHEMBL7503590 0.80 TP53 (0.60) TP53NPSR1LMNAHTTBRD4
SCHEMBL7508851 0.75 TP53 (0.69) TP53NPSR1LMNAHTTBRD4
SCHEMBL7504149 0.75 SMN1; SMN2 (0.61) TP53NPSR1LMNAHTTBRD4
SCHEMBL95201 0.73 NPSR1 (0.69) TP53NPSR1LMNAHTTUSP2
SCHEMBL10089750 0.73 LMNA (0.59) TP53NPSR1LMNAHTTUSP2
SCHEMBL7501638 0.72 MAPT (0.57) TP53LMNAHTTUSP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 302/4885NPSR1 4579/4885LMNA 2326/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 TP53 722/4885NPSR1 4219/4885LMNA 863/4885

“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.