SCHEMBL2236341

SCHEMBL2236341

CCN(CC)CC#Cc1ccccc1NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
MAPK1 P28482 1/20 0.44
TSHR P16473 3/20 0.43
ALDH1A1 P00352 3/20 0.42
HPGD P15428 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
POLB P06746 2/20 0.39
CYP2C19 P33261 2/20 0.39
NFKB1 P19838 1/20 0.38
KCNH2 Q12809 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL12348380 0.78 ALDH1A1 (0.50) HSD17B10TSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL2236058 0.77 CYP3A4 (0.51) HSD17B10MAPK1TSHRALDH1A1HPGD
SCHEMBL24088735 0.77 TSHR (0.53) HSD17B10MAPK1TSHRALDH1A1HPGD
SCHEMBL28956676 0.72 TSHR (0.48) HSD17B10MAPK1TSHRALDH1A1HPGD
SCHEMBL2231380 0.72 ALDH1A1 (0.63) HSD17B10MAPK1TSHRALDH1A1HPGD
SCHEMBL10448319 0.72 ALDH1A1 (0.50) HSD17B10MAPK1TSHRALDH1A1HPGD
SCHEMBL553679 0.71 ALDH1A1 (0.57) HSD17B10MAPK1TSHRALDH1A1HPGD
SCHEMBL1260794 0.71 HTT (0.49) HSD17B10MAPK1TSHRALDH1A1HPGD
SCHEMBL3053094 0.71 ALDH1A1 (0.60) HSD17B10MAPK1TSHRALDH1A1HPGD
SCHEMBL28863007 0.70 MAPK1 (0.47) HSD17B10MAPK1TSHRALDH1A1HPGD

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 10 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
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 HSD17B10 2819/4885MAPK1 934/4885TSHR 10/4885

“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.