SCHEMBL14717673

SCHEMBL14717673

COc1c(C(=O)O)ccc(CS(=O)(=O)c2ccccc2)c1-n1ccnc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.36
HTT P42858 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
KMT2A Q03164 2/20 0.35
TBXAS1 P24557 3/20 0.35
ALDH1A1 P00352 4/20 0.35

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
SCHEMBL1649414 0.81 CYP19A1 (0.38) HTTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1648935 0.75 KMT2A (0.41) KMT2AALDH1A1L3MBTL1SMN1; SMN2KEAP1
SCHEMBL1649411 0.74 KMT2A (0.43) KMT2AALDH1A1L3MBTL1SMN1; SMN2KEAP1
SCHEMBL1648993 0.72 KMT2A (0.42) HTTKMT2AALDH1A1L3MBTL1KEAP1
SCHEMBL1648310 0.72 KMT2A (0.35) KMT2AALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL1649969 0.71 KMT2A (0.35) HTTKMT2AALDH1A1MAPTL3MBTL1
SCHEMBL1648736 0.71 IMPDH2 (0.37) KMT2AALDH1A1L3MBTL1SMN1; SMN2KEAP1
SCHEMBL1648393 0.67 KAT6A (0.40) KMT2AALDH1A1MAPTL3MBTL1MEN1
SCHEMBL1648340 0.67 METAP2 (0.50) KMT2AALDH1A1L3MBTL1KEAP1NFE2L2
SCHEMBL1649919 0.66 KEAP1 (0.42) KMT2AALDH1A1L3MBTL1MEN1SMN1; 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 4 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

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 DHODH 925/4885HTT 692/4885TUBB4A 3337/4885
US-20130053364-A1 Sulphone Compounds and Methods of Making and Using Same METAP2, DNPEP, STS DHODH 925/4885HTT 692/4885TUBB4A 3337/4885

“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.