SCHEMBL1647829

SCHEMBL1647829

CCOC(=O)c1ccc(CS(=O)(=O)c2ccccc2)c(Br)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.41
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
GAA P10253 1/20 0.41
MCL1 Q07820 1/20 0.40
TUBB4A P04350 1/20 0.39

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
SCHEMBL1648935 0.87 KMT2A (0.41) TSHRKMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL1647827 0.81 KMT2A (0.46) TSHRKMT2AMAPK1CA12CA9
SCHEMBL1648920 0.81 TSHR (0.41) TSHRKMT2AMAPK1CA12CA9
SCHEMBL1648633 0.80 CA12 (0.44) TSHRKMT2AMAPK1CA12CA9
SCHEMBL1648101 0.79 CA12 (0.43) TSHRKMT2AMAPK1CA12CA9
SCHEMBL1647967 0.77 CA12 (0.41) TSHRKMT2AMAPK1CA12CA9
SCHEMBL1645713 0.76 ALDH1A1 (0.42) KMT2AMAPK1CA12CA9SMN1; SMN2
SCHEMBL28104283 0.74 GAA (0.43) TSHRKMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL1649989 0.74 MAPK1 (0.52) TSHRKMT2AMAPK1CA12CA9
SCHEMBL1648249 0.74 MAPT (0.42) TSHRKMT2AMAPK1SMN1; SMN2ALDH1A1

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
EP-2486004-B1 SULPHONE COMPOUNDS FOR USE IN THE TREATMENT OF OBESITY ZAFGEN INC (US) 2017-05-03 EP disclosed
CN-102639494-B Sulphones and preparation and application thereof 扎夫根公司 2016-11-09 CN 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 TSHR 3569/4885KMT2A 666/4885MAPK1 4548/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS TSHR 3569/4885KMT2A 666/4885MAPK1 4548/4885

“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.