SCHEMBL2232071

SCHEMBL2232071

Nc1ccc(C#Cc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.57
MAPT P10636 3/20 0.48
ACACB O00763 1/20 0.44
MAOB P27338 3/20 0.44
AOC3 Q16853 1/20 0.44
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EPHX2 P34913 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
FFAR1 O14842 1/20 0.38
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38

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
SCHEMBL28659226 0.89 ACACB (0.50) APPMAPTACACBMAOBAOC3
SCHEMBL5073 0.87 TDP1 (0.50) MAPTMAOBAOC3ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL8756363 0.85 TDP1 (0.48) MAPTMAOBAOC3ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL3785323 0.85 TDP1 (0.48) MAPTMAOBAOC3ALDH1A1CYP3A4
SCHEMBL403812 0.82 APP (0.50) APPMAPTACACBMAOBAOC3
SCHEMBL16582448 0.82 ACACB (0.46) APPMAPTACACBMAOBAOC3
SCHEMBL1242144 0.81 KIF11 (0.52) MAPTALDH1A1CYP3A4TSHRTDP1
SCHEMBL27722562 0.81 ACACB (0.44) MAPTACACBMAOBAOC3ALDH1A1
SCHEMBL633116 0.81 ALDH1A1 (0.64) MAPTMAOBALDH1A1CYP3A4TSHR
SCHEMBL10300052 0.80 APP (0.57) APPACACBMAOBAOC3L3MBTL1

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 15 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
JP-2010531821-A 2010-09-30 JP claimed
EP-2176203-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES Sanofi-Aventis (FR) 2010-04-21 EP claimed
WO-2009003589-A1 A PROCESS FOR THE PALLADIUM-CATALYZED COUPLING OF TERMINAL ALKYNES WITH ARYL TOSYLATES SANOFI-AVENTIS (FR) 2009-01-08 WO 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
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
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
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 APP 4703/4885MAPT 4717/4885ACACB 3043/4885

“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.