SCHEMBL2233448

SCHEMBL2233448

Cc1ccc(S(=O)(=O)Oc2cc(F)cc(Cl)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 14/20 0.49
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
ENPP2 Q13822 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
VEGFA P15692 1/20 0.41

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
SCHEMBL4131292 0.89 MEN1 (0.51) ENPP3ENPP1ENPP2KMT2AMEN1
SCHEMBL5083041 0.80 MEN1 (0.58) ENPP2KMT2AMEN1
SCHEMBL197216 0.78 ALDH1A1 (0.52) ENPP3ENPP1ENPP2KMT2AMEN1
SCHEMBL4126727 0.78 ALDH1A1 (0.52) KMT2AMEN1
SCHEMBL30512217 0.78 EPAS1 (0.44) EPAS1VEGFA
SCHEMBL22558454 0.77 AKR1C3 (0.55) ENPP3ENPP1ENPP2KMT2AMEN1
SCHEMBL9870770 0.77 TDP1 (0.68) ENPP3ENPP1ENPP2KMT2AMEN1
SCHEMBL12584886 0.77 TDP1 (0.68) ENPP3ENPP1ENPP2KMT2AMEN1
SCHEMBL4126119 0.77 AKR1C3 (0.55) ENPP3ENPP1ENPP2KMT2AMEN1
SCHEMBL30793395 0.77 MEN1 (0.65) ENPP3ENPP1ENPP2KMT2AMEN1

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
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
EP-2176203-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI SA (FR) 2011-08-10 EP disclosed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
EP-2176203-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES Sanofi-Aventis (FR) 2010-04-21 EP disclosed
CN-101687734-A The coupled reaction method of catalytic terminal alkynes class of palladium and aryl tosylate class SANOFI AVENTIS 2010-03-31 CN disclosed
WO-2009003589-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI-AVENTIS (FR) 2009-01-08 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 (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-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates TYR, ALK, TYRO3 EPAS1 2776/4885ENPP3 1010/4885ENPP1 1224/4885

“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.