SCHEMBL1920964

SCHEMBL1920964

CC(C)(C)OC(=O)c1ccc(C#CC2CC2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 1/20 0.41
▸ GABRG2 P18507 1/20 0.41
▸ GABRB3 P28472 1/20 0.41
▸ GABRA3 P34903 1/20 0.41
▸ GABRA2 P47869 1/20 0.41
▸ PTGES O14684 1/20 0.39
▸ ALOX15 P16050 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ PGK1 P00558 1/20 0.36
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA14 Q9ULX7 1/20 0.35
▸ SRD5A1 P18405 1/20 0.34
▸ SLC7A5 Q01650 1/20 0.33
▸ PDK1 Q15118 2/20 0.33
▸ PDK2 Q15119 2/20 0.33
▸ PDK3 Q15120 2/20 0.33
▸ PDK4 Q16654 2/20 0.33

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
SCHEMBL1921609 0.95 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL1920948 0.78 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4828805 0.71 SLC6A2 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL10494053 0.71 STAT3 (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL23777733 0.71 STAT3 (0.42) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL4203797 0.70 MAPT (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL15557828 0.70 STAT3 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30208125 0.70 MAPT (0.48) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL7078684 0.70 STAT3 (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL355085 0.70 ALOX15 (0.47) GABRA1GABRG2GABRB3GABRA3GABRA2

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-8283476-B2 Transition metal catalyzed synthesis of 2H-indazoles SANOFI (FR) 2012-10-09 — — US disclosed
EP-2134682-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES SANOFI SA (FR) 2011-12-14 — — EP disclosed
US-8026375-B2 Transition metal catalyzed synthesis of N-aminoindoles SANOFI-AVENTIS (FR) 2011-09-27 — — US disclosed
EP-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 — — EP disclosed
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles SANOFI-AVENTIS (FR) 2010-09-16 — — US disclosed
US-20100168429-A1 Transition metal catalyzed synthesis of N-aminoindoles SANOFI-AVENTIS (FR) 2010-07-01 — — US disclosed
EP-2170833-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES Sanofi-Aventis (FR) 2010-04-07 — — EP disclosed
EP-2134682-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES Sanofi-Aventis (FR) 2009-12-23 — — EP disclosed
WO-2009000411-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI-AVENTIS (FR) 2008-12-31 — — WO disclosed
WO-2008125207-A1 A TRANSITION METAL CATALYZED SYNTHESIS OF N-AMINOINDOLES SANOFI-AVENTIS (FR) 2008-10-23 — — 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 (2 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-20100168429-A1 Transition metal catalyzed synthesis of N-aminoindoles NAT1, H1-3, H1-2 GABRA1 3378/4885GABRG2 3763/4885GABRB3 4156/4885
US-20100234601-A1 Transition metal catalyzed synthesis of 2H-indazoles H1-3, H1-2, H1-4 GABRA1 2043/4885GABRG2 3163/4885GABRB3 2291/4885

“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.

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