SCHEMBL7535668

SCHEMBL7535668

Cn1c(=O)oc2cc(Cl)c(S(=O)(=O)Nc3ccccc3F)cc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
PKM P14618 10/20 0.50
POLB P06746 3/20 0.50
MAPK1 P28482 1/20 0.45
PSMD14 O00487 1/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
ACLY P53396 2/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HTT P42858 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
SCHEMBL7535428 0.90 KMT2A (0.54) TSHRMEN1KMT2APKMPOLB
SCHEMBL7533091 0.89 TSHR (0.49) TSHRMEN1KMT2APKMPOLB
SCHEMBL7536944 0.88 MEN1 (0.57) TSHRMEN1KMT2APKMPOLB
SCHEMBL7536732 0.82 MEN1 (0.66) TSHRMEN1KMT2APKMPOLB
SCHEMBL7535414 0.81 MEN1 (0.57) TSHRMEN1KMT2APKMPOLB
SCHEMBL7541615 0.81 MEN1 (0.77) TSHRMEN1KMT2APKMPOLB
SCHEMBL7501832 0.80 MEN1 (0.56) TSHRMEN1KMT2APKMPOLB
SCHEMBL7542496 0.79 PKM (0.69) TSHRMEN1KMT2APKMPOLB
SCHEMBL7536747 0.79 KMT2A (0.57) TSHRMEN1KMT2APKMPOLB
SCHEMBL7536652 0.78 PKM (0.51) TSHRMEN1KMT2APKMPOLB

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 TSHR 770/4885MEN1 3231/4885KMT2A 429/4885
US-20140249150-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 TSHR 1169/4885MEN1 4239/4885KMT2A 848/4885
US-20170007608-A1 ACTIVATORS OF PYRUVATE KINASE M2 AND METHODS OF TREATING DISEASE PDK1, PC, PDK2 TSHR 1169/4885MEN1 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.