SCHEMBL7595602

SCHEMBL7595602

Cn1cccc1S(=O)(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
ALDH1A1 P00352 6/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 5/20 0.36
MAPT P10636 5/20 0.36
TDP1 Q9NUW8 3/20 0.36
USP2 O75604 3/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 2/20 0.36
TLR9 Q9NR96 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 2/20 0.36
SMN1; SMN2 Q16637 5/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
NFKB1 P19838 2/20 0.34
NFKB2 Q00653 2/20 0.34

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
SCHEMBL14030743 0.79 TSHR (0.46) TSHRTRIM24TRIM33ALDH1A1KMT2A
SCHEMBL4321937 0.77 CA2 (0.45) TSHRTRIM24TRIM33ALDH1A1KMT2A
SCHEMBL4321935 0.77 TSHR (0.50) TSHRTRIM24TRIM33ALDH1A1KMT2A
SCHEMBL19913357 0.74 TSHR (0.42) TSHRTRIM24TRIM33ALDH1A1KMT2A
SCHEMBL18899375 0.73 TSHR (0.44) TSHRTRIM24TRIM33ALDH1A1KMT2A
SCHEMBL29059204 0.72 RAPGEF4 (0.33) ALDH1A1KMT2ATDP1KDM4ENPSR1
SCHEMBL8528623 0.70 MAPT (0.43) TSHRTRIM24TRIM33ALDH1A1KMT2A
SCHEMBL16469258 0.66 ALDH1A1 (0.48) TSHRALDH1A1KMT2AMEN1TDP1
SCHEMBL22535063 0.65 TSHR (0.38) TSHRTRIM24TRIM33ALDH1A1KMT2A
SCHEMBL29251687 0.62 CYP2C9 (0.46) TSHRTRIM24TRIM33ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938259-B2 Therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2018-04-10 US disclosed
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC. 2017-10-05 US disclosed
US-9657004-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC (US) 2017-05-23 US disclosed
US-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE AGIOS PHARMACEUTICALS, INC (US) 2014-10-30 US disclosed
US-8742119-B2 Pyruvate kinase M2 modulators, therapeutic compositions and related methods of use AGIOS PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
US-20120122885-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE 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-20140323729-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 TSHR 1662/4885TRIM24 2459/4885TRIM33 2860/4885
US-20170283401-A1 THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 TSHR 2408/4885TRIM24 3577/4885TRIM33 3533/4885
US-20120122885-A1 PYRUVATE KINASE M2 MODULATORS, THERAPEUTIC COMPOSITIONS AND RELATED METHODS OF USE PDK2, PDK1, PDK3 TSHR 1662/4885TRIM24 2459/4885TRIM33 2860/4885

“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.