SCHEMBL2236246

SCHEMBL2236246

Cc1ccc(S(=O)(=O)Oc2ccc(CC#N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.50
ENPP1 P22413 4/20 0.48
PPARG P37231 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
ENPP3 O14638 3/20 0.43
ENPP2 Q13822 3/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL4168930 0.85 TDP1 (0.57) PKMENPP1MEN1KMT2ACA2
SCHEMBL3841654 0.82 ENPP1 (0.53) ENPP1PPARGMEN1KMT2ACA12
SCHEMBL9852204 0.82 MEN1 (0.60) ENPP1PPARGMEN1KMT2ACA12
SCHEMBL4126086 0.82 MEN1 (0.60) ENPP1PPARGMEN1KMT2ACA12
SCHEMBL18179825 0.82 MEN1 (0.60) ENPP1PPARGMEN1KMT2ACA12
SCHEMBL13401128 0.81 ALDH1A1 (0.46) PKMMEN1KMT2ACA2ALDH1A1
SCHEMBL8499355 0.81 ENPP1 (0.55) ENPP1PPARGMEN1KMT2ACA12
SCHEMBL15468472 0.81 ENPP1 (0.55) ENPP1PPARGMEN1KMT2ACA12
SCHEMBL2787389 0.80 LMNA (0.45) ENPP1MEN1KMT2AALDH1A1MAPT
Iodide SCHEMBL22068772 0.80 CA2 (0.59) ENPP1PPARGMEN1KMT2ACA12

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 5 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
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 PKM 2263/4885ENPP1 1224/4885PPARG 3363/4885

“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.