SCHEMBL7500575

SCHEMBL7500575

COc1ccc(C)cc1S(=O)(=O)Nc1cc2[nH]c(=O)oc2cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
ALDH1A1 P00352 3/20 0.59
MAPK1 P28482 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.52
THRB P10828 1/20 0.52
HPGD P15428 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
TSHR P16473 2/20 0.49
BRD4 O60885 2/20 0.48
ALPL P05186 2/20 0.48
GAA P10253 2/20 0.48
ALPI P09923 1/20 0.48
ALPG P10696 1/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
HSD17B10 Q99714 1/20 0.48
LMNA P02545 1/20 0.48

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
SCHEMBL7500130 0.89 BRD4 (0.60) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL7501844 0.83 BRD4 (0.61) MEN1KMT2AALDH1A1THRBNPSR1
SCHEMBL7501888 0.83 ALDH1A1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2THRB
SCHEMBL7507624 0.83 SMN1; SMN2 (0.64) MEN1KMT2AALDH1A1SMN1; SMN2THRB
SCHEMBL7500569 0.79 KMT2A (0.59) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL7533254 0.79 ALDH1A1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2THRB
SCHEMBL7500864 0.77 ALDH1A1 (0.56) MEN1KMT2AALDH1A1MAPK1SMN1; SMN2
SCHEMBL7502833 0.75 TP53 (0.71) SMN1; SMN2NPSR1TSHRBRD4ALPL
SCHEMBL7542642 0.73 ACLY (0.43) MEN1KMT2ASMN1; SMN2THRBALPL
SCHEMBL7501817 0.71 POLB (0.57) MEN1KMT2AALDH1A1SMN1; SMN2THRB

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 MEN1 3231/4885KMT2A 429/4885ALDH1A1 1326/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 MEN1 4239/4885KMT2A 848/4885ALDH1A1 1390/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 MEN1 4239/4885KMT2A 848/4885ALDH1A1 1390/4885

“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.