SCHEMBL4004183

SCHEMBL4004183

CCOC(=O)c1cc(S(=O)(=O)N2CCCCC2)c(OC)cc1OCC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.60
ALDH1A1 P00352 5/20 0.60
GAA P10253 1/20 0.60
NPBWR1 P48145 1/20 0.60
KMT2A Q03164 4/20 0.57
MEN1 O00255 2/20 0.57
POLB P06746 1/20 0.57
KDM4E B2RXH2 2/20 0.55
TDP1 Q9NUW8 1/20 0.53
MCOLN3 Q8TDD5 2/20 0.52
HTT P42858 1/20 0.52
THRB P10828 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL5506579 0.92 KDM4E (0.58) TSHRALDH1A1GAANPBWR1KMT2A
SCHEMBL1546461 0.91 TSHR (0.59) TSHRALDH1A1GAANPBWR1KMT2A
SCHEMBL3998128 0.88 KDM4E (0.71) TSHRALDH1A1KMT2AMEN1POLB
SCHEMBL4006356 0.87 ALDH1A1 (0.61) TSHRALDH1A1KMT2AMEN1POLB
SCHEMBL4001104 0.87 KDM4E (0.69) TSHRALDH1A1KMT2AMEN1POLB
SCHEMBL3999221 0.86 ALDH1A1 (0.62) TSHRALDH1A1KMT2AMEN1POLB
SCHEMBL4002823 0.79 ALDH1A1 (0.62) TSHRALDH1A1KMT2AMEN1POLB
SCHEMBL1547291 0.79 ALDH1A1 (0.56) TSHRALDH1A1KMT2AMEN1POLB
SCHEMBL8260674 0.79 TSHR (0.53) TSHRALDH1A1GAANPBWR1KMT2A
SCHEMBL11180002 0.78 TSHR (0.73) TSHRALDH1A1GAANPBWR1KMT2A

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 2239/4885ALDH1A1 3030/4885GAA 2974/4885

“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.