SCHEMBL1648631

SCHEMBL1648631

COC(=O)c1ccc(CS(=O)(=O)c2ccccc2)c(-c2nccs2)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 5/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KAT6A Q92794 1/20 0.36
ACLY P53396 1/20 0.36
POLB P06746 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD11B1 P28845 1/20 0.34
ECE1 P42892 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL1648251 0.82 ALDH1A1 (0.40) KMT2AALDH1A1LMNAGAAKAT6A
SCHEMBL1646328 0.78 ALDH1A1 (0.39) KMT2AALDH1A1LMNAGAAKAT6A
SCHEMBL1649411 0.72 KMT2A (0.43) KMT2AALDH1A1NPC1RAB9AACLY
SCHEMBL1648310 0.72 KMT2A (0.35) KMT2AALDH1A1NPC1RAB9AACLY
SCHEMBL1649969 0.71 KMT2A (0.35) KMT2AALDH1A1NPC1RAB9AACLY
SCHEMBL1648306 0.71 KMT2A (0.42) KMT2AALDH1A1POLBL3MBTL1HSD11B1
SCHEMBL4912518 0.70 ALDH1A1 (0.53) KMT2AALDH1A1LMNAMEN1POLB
SCHEMBL1648347 0.69 METAP2 (0.46) KMT2AALDH1A1POLBL3MBTL1HSD11B1
SCHEMBL1648525 0.69 MAPT (0.44) KMT2AALDH1A1MEN1POLBL3MBTL1
SCHEMBL27357373 0.68 CYP1A2 (0.45) KMT2AALDH1A1LMNANPC1RAB9A

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
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed
US-20160051531-A1 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN INC (US) 2016-02-25 US disclosed
US-9067905-B2 Sulphone compounds and methods of making and using same ZAFGEN, INC. (US) 2015-06-30 US disclosed
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same ZAFGEN, INC. 2013-02-28 US disclosed
EP-2486004-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME Zafgen Corporation (US) 2012-08-15 EP disclosed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 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 (2 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-20160051531-A1 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME METAP2, DNPEP, STS KMT2A 666/4885ALDH1A1 360/4885LMNA 4621/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS KMT2A 666/4885ALDH1A1 360/4885LMNA 4621/4885

“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.