SCHEMBL4177213

SCHEMBL4177213

COc1ccc(CS(=O)(=O)C(C#N)=Cc2ccoc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.49
▸ PKM P14618 1/20 0.49
▸ KMT2A Q03164 8/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ MAPT P10636 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ POLB P06746 4/20 0.43
▸ APEX1 P27695 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ CYP1A2 P05177 3/20 0.41
▸ CYP1A1 P04798 1/20 0.41
▸ CYP1B1 Q16678 1/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40

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
SCHEMBL4177206 1.00 HPGD (0.49) HPGDPKMKMT2AMEN1MAPT
SCHEMBL4177203 1.00 HPGD (0.49) HPGDPKMKMT2AMEN1MAPT
SCHEMBL4186100 0.86 HPGD (0.60) HPGDPKMKMT2AMEN1MAPT
SCHEMBL4186092 0.86 HPGD (0.60) HPGDPKMKMT2AMEN1MAPT
SCHEMBL4186095 0.86 HPGD (0.60) HPGDPKMKMT2AMEN1MAPT
SCHEMBL4177867 0.84 L3MBTL1 (0.41) PKMKMT2AMEN1MAPTL3MBTL1
SCHEMBL4177863 0.84 L3MBTL1 (0.41) PKMKMT2AMEN1MAPTL3MBTL1
SCHEMBL4177859 0.84 L3MBTL1 (0.41) PKMKMT2AMEN1MAPTL3MBTL1
SCHEMBL4192014 0.83 NQO2 (0.53) HPGDPKMKMT2AMEN1MAPT
SCHEMBL4192011 0.83 NQO2 (0.53) HPGDPKMKMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 — — 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 (1 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 HPGD 2134/4885PKM 2657/4885KMT2A 469/4885

“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.

Send feedback