SCHEMBL6940152

SCHEMBL6940152

CS(=O)(=O)Oc1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.50
CA5A P35218 2/20 0.50
ALDH1A1 P00352 4/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 4/20 0.46
PTGS2 P35354 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 3/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL17129829 0.82 ALDH1A1 (0.49) CA2ALDH1A1MAPK1MAPTKMT2A
SCHEMBL6938761 0.79 MAOB (0.47) CA2ALDH1A1MAPK1MAPTKMT2A
SCHEMBL1874964 0.79 CA2 (0.45) CA2CA5AALDH1A1MAPK1MAPT
SCHEMBL28698687 0.78 CA2 (0.50) CA2CA5AALDH1A1MAPK1MAPT
SCHEMBL9748430 0.78 MAOB (0.61) MAPK1MAPTKMT2AMEN1NPC1
SCHEMBL1874963 0.78 CA2 (0.44) CA2CA5AALDH1A1MAPK1MAPT
SCHEMBL4645174 0.78 NPC1 (0.54) CA2ALDH1A1MAPTKMT2AMEN1
SCHEMBL746722 0.75 ALDH1A1 (0.56) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL11466857 0.75 CA2 (0.41) CA2CA5AALDH1A1MAPTKMT2A
SCHEMBL6165864 0.74 ALDH1A1 (0.78) ALDH1A1MAPK1KMT2AMEN1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8212056-B2 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (CN) 2012-07-03 US disclosed
US-20090326243-A1 Ligands for transition-metals and methods of use THE HONG KONG POLYTECHNIC UNIVERSITY (HK) 2009-12-31 US disclosed
EP-1167372-B1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO PERFUMERY CO LTD (JP) 2003-12-10 EP disclosed
US-6455720-B1 AS CATALYSTS TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-09-24 US disclosed
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-05-16 US disclosed
US-6365776-B1 FROM ORGANOHALOGEN COMPOUND AND AMINE USING PALLADIUM COMPOUND CATALYST AND PROMOTER TAKASAGO INTERNATIONAL CORPORATION (JP) 2002-04-02 US disclosed
US-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TAKASAGO INTERNATIONAL CORPORATION 2002-03-21 US disclosed
EP-1167372-A1 2,2-(Diaryl)vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst Takasago International Corporation (JP) 2002-01-02 EP 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 (3 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-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TYR, DDC, PNMT CA2 3856/4885CA5A 3635/4885ALDH1A1 1669/4885
US-20020058837-A1 2,2 (Diarlyl) Vinylphosphine compound, palladium catalyst thereof, and process for producing arylamine, diaryl, or arylalkyne with the catalyst DDT, PDCD11, PLD2 CA2 3780/4885CA5A 2853/4885ALDH1A1 2369/4885
US-20090326243-A1 Ligands for transition-metals and methods of use PDK4, PDXK, PDK3 CA2 352/4885CA5A 91/4885ALDH1A1 1267/4885

“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.