SCHEMBL16002503

SCHEMBL16002503

COCCn1c(=O)oc2ccc(S(=O)(=O)Nc3ccc(F)c(C)c3)cc21

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 10/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
EGFR P00533 2/20 0.49
MAPT P10636 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 2/20 0.47
BRD4 O60885 1/20 0.44
TP53 P04637 3/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.44
BRD1 O95696 1/20 0.44
BRPF1 P55201 1/20 0.44
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL7543649 0.92 PKM (0.60) PKMMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7538064 0.86 EGFR (0.49) PKMMEN1KMT2ASMN1; SMN2EGFR
SCHEMBL7536067 0.85 PKM (0.48) PKMMEN1KMT2ASMN1; SMN2EGFR
SCHEMBL7541882 0.82 TP53 (0.59) PKMMEN1KMT2AEGFRMAPT
SCHEMBL7536414 0.79 EGFR (0.57) PKMMEN1KMT2ASMN1; SMN2EGFR
SCHEMBL7537514 0.77 EGFR (0.49) PKMMEN1KMT2ASMN1; SMN2EGFR
SCHEMBL7536037 0.76 PKM (0.55) PKMMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL16948357 0.71 ALDH1A1 (0.73) MEN1KMT2ASMN1; SMN2MAPTALDH1A1
SCHEMBL7541742 0.71 PKM (0.60) PKMMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7543069 0.70 PKM (0.44) PKMMEN1KMT2ASMN1; SMN2MAPT

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885MEN1 4239/4885KMT2A 848/4885

“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.