SCHEMBL2232067

SCHEMBL2232067

CCCCC#Cc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
HSD17B10 Q99714 1/20 0.47
CYP2A6 P11509 2/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
MMP2 P08253 1/20 0.45
MMP12 P39900 1/20 0.45
TNK2 Q07912 1/20 0.44
ALDH1A1 P00352 1/20 0.41
MGLL Q99685 2/20 0.41
KCNH2 Q12809 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
CHRNB2 P17787 3/20 0.39
CHRNA2 Q15822 3/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA4 P43681 2/20 0.39
CHRNB4 P30926 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39

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
SCHEMBL20152456 0.94 TSHR (0.56) TSHRHSD17B10CYP2A6FFAR1FFAR4
SCHEMBL12348503 0.92 FFAR1 (0.55) TSHRHSD17B10CYP2A6FFAR1FFAR4
SCHEMBL5886588 0.89 FFAR1 (0.53) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL8877872 0.88 CYP2A6 (0.50) TSHRHSD17B10CYP2A6FFAR1FFAR4
SCHEMBL8846653 0.87 FFAR1 (0.51) FFAR1FFAR4MMP2MMP12TNK2
SCHEMBL21623467 0.87 CYP2A6 (0.43) TSHRHSD17B10CYP2A6FFAR1FFAR4
SCHEMBL21623418 0.87 CYP2A6 (0.43) TSHRHSD17B10CYP2A6FFAR1FFAR4
SCHEMBL21623461 0.85 FFAR1 (0.42) TSHRHSD17B10CYP2A6FFAR1FFAR4
SCHEMBL20152451 0.82 TSHR (0.50) TSHRHSD17B10CYP2A6ALDH1A1LOXL2
SCHEMBL29843869 0.82 DRD2 (0.44) FFAR1KCNH2

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
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
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 TSHR 10/4885HSD17B10 2819/4885CYP2A6 348/4885

“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.