SCHEMBL6940400

SCHEMBL6940400

CS(=O)(=O)Oc1ccc(OS(C)(=O)=O)c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 1/20 0.44
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41
GAA P10253 3/20 0.41
MEN1 O00255 2/20 0.41
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP1A2 P05177 1/20 0.40
ALPL P05186 1/20 0.40
SLC2A1 P11166 2/20 0.39
IDO1 P14902 1/20 0.39
EP300 Q09472 1/20 0.38
KAT8 Q9H7Z6 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL6940205 0.90 CYP1A2 (0.50) KMT2AKDM4ECDK4CCND1GAA
SCHEMBL476328 0.83 ALDH1A1 (0.47) KMT2AKDM4EGAAMEN1TSHR
SCHEMBL29050083 0.83 NQO1 (0.55) KMT2AKDM4ECDK4CCND1TSHR
SCHEMBL3839152 0.82 NFE2L2 (0.42) KMT2AKDM4ECDK4CCND1ALDH1A1
SCHEMBL28187069 0.81 ALDH1A1 (0.46) KMT2AKDM4EGAAMEN1TSHR
SCHEMBL27803462 0.81 ALDH1A1 (0.49) KMT2AKDM4EGAAMEN1TSHR
SCHEMBL27498233 0.81 ALDH1A1 (0.46) KMT2AKDM4EGAAMEN1TSHR
Ammonia Solution, Strong SCHEMBL27701243 0.81 ALDH1A1 (0.46) KMT2AKDM4EGAAMEN1TSHR
SCHEMBL20509020 0.81 HPRT1 (0.48) KMT2AKDM4EGAAMEN1ESR1
SCHEMBL1303983 0.80 MAPT (0.58) KMT2AKDM4ECDK4CCND1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20020035295-A1 PROCESS FOR PRODUCING AROMATIC AMINES TYR, DDC, PNMT KMT2A 359/4885KDM4E 262/4885CDK4 1733/4885
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 KMT2A 170/4885KDM4E 381/4885CDK4 213/4885

“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.