SCHEMBL3997692

SCHEMBL3997692

CCOC(=O)c1cc(S(=O)(=O)N(C)C)c(C#C[Si](C)(C)C)cc1OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
GABRA1 P14867 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA2 P47869 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRA6 Q16445 2/20 0.35
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 3/20 0.33
DPP4 P27487 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 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
SCHEMBL3998773 0.84 MAPT (0.44) MAPTTSHRCA1CA2CA12
SCHEMBL3997482 0.78 MAPT (0.47) MAPTTSHRCA1CA2CA12
SCHEMBL4006354 0.78 TSHR (0.50) MAPTTSHRCA1CA2CA12
SCHEMBL4001527 0.78 TSHR (0.56) MAPTTSHRCA1CA2CA12
SCHEMBL4001970 0.78 TSHR (0.47) MAPTTSHRCA1CA2CA12
SCHEMBL4004644 0.78 TSHR (0.47) MAPTTSHRCA1CA2CA12
SCHEMBL3996181 0.72 GABRA1 (0.53) MAPTTSHRGABRA1GABRA5GABRG2
SCHEMBL13717090 0.70 KMT2A (0.52) MAPTTSHRKMT2AKDM4ERXFP1
SCHEMBL4002658 0.70 TSHR (0.43) MAPTTSHRCA1CA2CA12
SCHEMBL31171420 0.69 TSHR (0.60) MAPTTSHRCA1CA2CA12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579368-B2 Cis-imidazolines HOFFMAN-LA ROCHE INC. (US) 2009-08-25 US disclosed
US-7579368-B2 Cis-imidazolines HOFFMAN-LA ROCHE INC. (US) 2009-08-25 US disclosed
EP-1861376-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F. Hoffmann-Roche AG (CH) 2007-12-05 EP disclosed
WO-2006097261-A1 CIS-2,4,5-TRIARYL-IMIDAZOLINES AND THEIR USE AS ANTI-CANCER MEDICAMENTS F.HOFFMANN-LA ROCHE AG (CH) 2006-09-21 WO disclosed
US-20060211693-A1 Cis-imidazolines FOTOUHI NADER 2006-09-21 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-20060211693-A1 Cis-imidazolines TP53, MDM2, CDC25C MAPT 3343/4885TSHR 2239/4885GABRA1 4007/4885

“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.