SCHEMBL1647770

SCHEMBL1647770

CCOC(=O)c1c(C[S+]([O-])c2ccccc2)ccc(CC)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 3/20 0.39
NPC1 O15118 3/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GRM6 O15303 2/20 0.38

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
SCHEMBL18801307 0.92 TDP1 (0.40) TSHRTDP1L3MBTL1CA12CA1
SCHEMBL18801093 0.90 MAPT (0.39) TSHRTDP1L3MBTL1CA12CA1
SCHEMBL18801422 0.89 ALDH1A1 (0.41) TSHRTDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL18801084 0.88 MAPT (0.40) TDP1MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL1647720 0.87 METAP2 (0.44) CA12CA1CA2CA7CA9
SCHEMBL18801443 0.86 MAPK8 (0.37) TSHRTDP1L3MBTL1CA12CA1
SCHEMBL18801310 0.82 ALDH1A1 (0.35) TSHRTDP1L3MBTL1MAPTSMN1; SMN2
SCHEMBL18801327 0.82 PPARG (0.41) TDP1MAPTSMN1; SMN2ALDH1A1HPGD
SCHEMBL18801172 0.82 RAB9A (0.43) TSHRL3MBTL1MAPTSMN1; SMN2ALDH1A1
SCHEMBL18801321 0.81 TSHR (0.35) TSHRTDP1L3MBTL1MAPTSMN1; SMN2

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 9 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
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
CN-102639494-A Sulphone compounds and methods of making and using same ZAFGEN CORP 2012-08-15 CN disclosed
WO-2011044506-A2 SULPHONE COMPOUNDS AND METHODS OF MAKING AND USING SAME ZAFGEN CORPORATION (US) 2011-04-14 WO 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 3569/4885TDP1 2695/4885L3MBTL1 3806/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS TSHR 3569/4885TDP1 2695/4885L3MBTL1 3806/4885

“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.