SCHEMBL2236058

SCHEMBL2236058

CCCCCC#Cc1ccccc1NC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.51
CYP2C19 P33261 4/20 0.51
CYP2C9 P11712 3/20 0.51
CYP1A2 P05177 3/20 0.51
KDM4E B2RXH2 3/20 0.51
MAPT P10636 3/20 0.51
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 1/20 0.51
CYP2D6 P10635 1/20 0.51
APEX1 P27695 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TSHR P16473 4/20 0.48
MAPK1 P28482 1/20 0.48
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
CETP P11597 2/20 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
SCHEMBL2233293 0.80 ALDH1A1 (0.43) CYP3A4CYP2C19CYP2C9CYP1A2KDM4E
SCHEMBL2236956 0.78 ALDH1A1 (0.50) CYP3A4CYP2C19CYP2C9KDM4EMAPT
SCHEMBL2236341 0.77 HSD17B10 (0.46) CYP3A4CYP2C19CYP1A2HSD17B10SMN1; SMN2
SCHEMBL24088735 0.77 TSHR (0.53) CYP2C19CYP2C9CYP1A2KDM4EHSD17B10
SCHEMBL29087832 0.77 CYSLTR2 (0.52) CYP3A4CYP2C19CYP2C9CYP1A2KDM4E
SCHEMBL6371432 0.76 KCNH2 (0.58) CYP3A4CYP2C19CYP2C9CYP1A2KDM4E
SCHEMBL14523922 0.75 KDM4E (0.49) CYP3A4CYP2C19CYP2C9CYP1A2KDM4E
SCHEMBL4790549 0.75 CYSLTR2 (0.53) CYP3A4CYP2C19CYP2C9CYP1A2KDM4E
SCHEMBL10795247 0.74 CYSLTR2 (0.65) CYP3A4CYP2C19CYP2C9CYP1A2KDM4E
SCHEMBL28863007 0.73 MAPK1 (0.47) CYP2C19CYP1A2HSD17B10SMN1; SMN2TSHR

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 11 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 claimed
EP-2176203-B1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI SA (FR) 2011-08-10 EP claimed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US claimed
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
US-8487109-B2 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI (FR) 2013-07-16 US disclosed
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
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
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 US disclosed
US-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates SANOFI-AVENTIS (FR) 2010-10-14 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-20100261910-A1 Process for the palladium-catalyzed coupling of terminal alkynes with aryl tosylates TYR, ALK, TYRO3 CYP3A4 339/4885CYP2C19 143/4885CYP2C9 479/4885

“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.