SCHEMBL7541882

SCHEMBL7541882

COCCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.59
EGFR P00533 1/20 0.56
PKM P14618 8/20 0.55
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
POLB P06746 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
MAPT P10636 2/20 0.53
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 1/20 0.48
GFER P55789 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
SCHEMBL7543649 0.90 PKM (0.60) TP53PKMMEN1KMT2AMAPT
SCHEMBL7536037 0.87 PKM (0.55) TP53PKMMEN1KMT2APOLB
SCHEMBL7536414 0.85 EGFR (0.57) TP53EGFRPKMMEN1KMT2A
SCHEMBL7537514 0.85 EGFR (0.49) TP53EGFRPKMMEN1KMT2A
SCHEMBL7541844 0.84 PKM (0.77) TP53PKMMEN1KMT2APOLB
SCHEMBL16002503 0.82 PKM (0.52) TP53EGFRPKMMEN1KMT2A
SCHEMBL26538702 0.77 PKM (0.69) TP53PKMMEN1KMT2APOLB
SCHEMBL7536067 0.76 PKM (0.48) TP53EGFRPKMMEN1KMT2A
SCHEMBL7538064 0.76 EGFR (0.49) TP53EGFRPKMMEN1KMT2A
SCHEMBL7535411 0.76 PKM (0.78) TP53PKMMEN1KMT2APOLB

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 7 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
EP-2427441-B1 PKM2 ACTIVATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS INC (US) 2016-12-14 EP 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
WO-2013056153-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE KUNG CHARLES (US) 2013-04-18 WO disclosed
US-20120122849-A1 PKM2 MODULATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. 2012-05-17 US disclosed
WO-2010129596-A1 PMK2 MODULATORS FOR USE IN THE TREATMENT OF CANCER AGIOS PHARMACEUTICALS, INC. (US) 2010-11-11 WO 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 302/4885EGFR 1275/4885PKM 5/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 TP53 722/4885EGFR 3030/4885PKM 11/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 TP53 722/4885EGFR 3030/4885PKM 11/4885

“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.