SCHEMBL3996318

SCHEMBL3996318

CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(F)cc1OCC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TSHR P16473 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 1/20 0.51
HSD17B10 Q99714 3/20 0.51
NPSR1 Q6W5P4 2/20 0.51
MAPK1 P28482 2/20 0.51
CREBBP Q92793 1/20 0.51
TP53 P04637 2/20 0.48
USP2 O75604 3/20 0.48
MITF O75030 1/20 0.48
MAPT P10636 1/20 0.48
NTSR1 P30989 1/20 0.48
LMNA P02545 1/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL3997775 0.89 ALDH1A1 (0.64) ALDH1A1TSHRSMN1; SMN2HTTHSD17B10
SCHEMBL3996272 0.88 TSHR (0.59) ALDH1A1TSHRSMN1; SMN2HTTHSD17B10
SCHEMBL4001104 0.78 KDM4E (0.69) ALDH1A1TSHRSMN1; SMN2HTTHSD17B10
SCHEMBL3997311 0.78 CA1 (0.43) TSHRHTTLMNAMEN1KMT2A
SCHEMBL3999221 0.77 ALDH1A1 (0.62) ALDH1A1TSHRSMN1; SMN2HTTMAPK1
SCHEMBL3998128 0.77 KDM4E (0.71) ALDH1A1TSHRSMN1; SMN2HTTHSD17B10
SCHEMBL4006356 0.76 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2HTTUSP2
SCHEMBL11165761 0.76 ALDH1A1 (0.54) ALDH1A1TSHRNPSR1LMNAKMT2A
SCHEMBL4004183 0.76 TSHR (0.60) ALDH1A1TSHRSMN1; SMN2HTTMEN1
SCHEMBL4001970 0.76 TSHR (0.47) ALDH1A1TSHRHTTHSD17B10MAPT

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 ALDH1A1 3030/4885TSHR 2239/4885SMN1; SMN2 2851/4885

“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.