SCHEMBL4004644

SCHEMBL4004644

CCOC(=O)c1cc(S(=O)(=O)N(C)C)c(I)cc1OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
MAPT P10636 2/20 0.47
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
GSTO1 P78417 1/20 0.38
ALDH1A1 P00352 5/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 1/20 0.37
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 1/20 0.36
DPP4 P27487 2/20 0.35

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
SCHEMBL4001970 0.85 TSHR (0.47) TSHRMAPTCA1CA2CA12
SCHEMBL3997482 0.85 MAPT (0.47) TSHRMAPTCA1CA2CA12
SCHEMBL4001527 0.85 TSHR (0.56) TSHRMAPTCA1CA2CA12
SCHEMBL4006354 0.85 TSHR (0.50) TSHRMAPTCA1CA2CA12
SCHEMBL3998773 0.81 MAPT (0.44) TSHRMAPTCA1CA2CA12
SCHEMBL3997692 0.78 MAPT (0.41) TSHRMAPTCA1CA2CA12
SCHEMBL13717090 0.76 KMT2A (0.52) TSHRMAPTALDH1A1GAAKMT2A
SCHEMBL4002658 0.76 TSHR (0.43) TSHRMAPTCA1CA2CA12
SCHEMBL31171420 0.75 TSHR (0.60) TSHRMAPTCA1CA2CA12
SCHEMBL31171418 0.75 TSHR (0.60) TSHRMAPTCA1CA2CA12

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 4 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
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 TSHR 2239/4885MAPT 3343/4885CA1 2178/4885

“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.