SCHEMBL7541848

SCHEMBL7541848

Cc1cc2oc(=O)n(C)c2cc1S(=O)(=O)Nc1ccc(Cl)cc1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKM P14618 8/20 0.67
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
TAS2R14 Q9NYV8 1/20 0.52
GFER P55789 1/20 0.52
GPR55 Q9Y2T6 1/20 0.50
TP53 P04637 2/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
IDH1 O75874 2/20 0.48
TSHR P16473 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
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
SCHEMBL7542496 0.89 PKM (0.69) PKMMEN1KMT2AGFERTP53
SCHEMBL7543535 0.89 TP53 (0.59) PKMTP53IDH1LMNAHTT
SCHEMBL7534803 0.88 PKM (0.57) PKMMEN1KMT2ATAS2R14GFER
SCHEMBL7538701 0.88 PKM (0.55) PKMMEN1KMT2ATAS2R14GFER
SCHEMBL7537618 0.88 PKM (0.68) PKMMEN1KMT2ATAS2R14GFER
SCHEMBL7539651 0.88 PKM (0.57) PKMMEN1KMT2ATAS2R14TP53
SCHEMBL7536210 0.87 PKM (0.54) PKMMEN1KMT2ATP53POLB
SCHEMBL7540727 0.87 PKM (0.66) PKMMEN1KMT2ATAS2R14GFER
SCHEMBL7538429 0.87 PKM (0.71) PKMMEN1KMT2ATAS2R14GFER
SCHEMBL7537494 0.85 PKM (0.60) PKMMEN1KMT2ATAS2R14GFER

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 PKM 5/4885MEN1 3231/4885KMT2A 429/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 PKM 11/4885MEN1 4239/4885KMT2A 848/4885
US-20170007608-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.