SCHEMBL15833697

SCHEMBL15833697

CN1C(=O)OCc2ccc(S(=O)(=O)Cl)cc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
TRIM24 O15164 1/20 0.33
PKM P14618 2/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
BRD3 Q15059 1/20 0.32
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL17563243 0.87 PNMT (0.38) ALDH1A1GAATRIM24
SCHEMBL12698059 0.78 POLB (0.41) HTT
SCHEMBL13091165 0.76 HSD17B10 (0.40) ALDH1A1GAAPKMHTTMEN1
SCHEMBL31714457 0.75 LMNA (0.45) ALDH1A1GAABRD4LMNA
SCHEMBL10076590 0.74 DRD2 (0.52) ALDH1A1GAATRIM24PKMBRD4
SCHEMBL31714699 0.73 CASP1 (0.49) ALDH1A1GAAHTTMEN1KMT2A
SCHEMBL15833728 0.73 PDE3B (0.47) HTTMEN1KMT2A
SCHEMBL30434996 0.73 PDE3B (0.47) HTTMEN1KMT2A
SCHEMBL10075473 0.72 PKM (0.61) ALDH1A1GAATRIM24PKMBRD4
SCHEMBL5423529 0.71 MAOA (0.44)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280697-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE AGIOS PHARMACEUTICALS, INC 2016-09-29 US disclosed
US-9328077-B2 Bicyclic PKM2 activators AGIOS PHARMACEUTICALS, INC (US) 2016-05-03 US disclosed
US-9181231-B2 Pyruvate kinase activators for use for increasing lifetime of the red blood cells and treating anemia AGIOS PHARMACEUTICALS, INC (US) 2015-11-10 US disclosed
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA AGIOS PHARMACEUTICALS, INC (US) 2014-06-26 US disclosed
US-20140011804-A1 BICYCLIC PKM2 ACTIVATORS AGIOS PHARMACEUTICALS, INC (US) 2014-01-09 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-20140011804-A1 BICYCLIC PKM2 ACTIVATORS PDK2, PDK1, PDK3 ALDH1A1 1184/4885GAA 2394/4885TRIM24 3384/4885
US-20160280697-A1 THERAPEUTICALLY ACTIVE COMPOSITIONS AND THEIR METHODS OF USE PDK1, PDK2, PCK1 ALDH1A1 1936/4885GAA 846/4885TRIM24 2883/4885
US-20140179694-A1 PYRUVATE KINASE ACTIVATORS FOR USE FOR INCREASING LIFETIME OF THE RED BLOOD CELLS AND TREATING ANEMIA PCK1, PDK2, PFKP ALDH1A1 1010/4885GAA 565/4885TRIM24 2853/4885

“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.