SCHEMBL3998773

SCHEMBL3998773

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 13/20 0.43
ALDH1A1 P00352 8/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 3/20 0.43
HSD17B10 Q99714 3/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 2/20 0.42
GAA P10253 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
POLB P06746 3/20 0.38
RECQL P46063 1/20 0.38
GLA P06280 1/20 0.38
ATM Q13315 1/20 0.38
TP53 P04637 1/20 0.38
ALOX15 P16050 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL3997692 0.84 MAPT (0.41) MAPTTSHRKDM4EALDH1A1KMT2A
SCHEMBL4001527 0.81 TSHR (0.56) MAPTTSHRALDH1A1KMT2AMEN1
SCHEMBL4004644 0.81 TSHR (0.47) MAPTTSHRKDM4EALDH1A1KMT2A
SCHEMBL4001970 0.81 TSHR (0.47) MAPTTSHRKDM4EALDH1A1KMT2A
SCHEMBL4006354 0.81 TSHR (0.50) MAPTTSHRALDH1A1KMT2AGAA
SCHEMBL3997482 0.81 MAPT (0.47) MAPTTSHRKDM4EALDH1A1KMT2A
SCHEMBL3998440 0.81 KDM4E (0.51) MAPTTSHRKDM4EALDH1A1KMT2A
SCHEMBL16963569 0.77 KDM4E (0.48) MAPTKDM4EALDH1A1KMT2AMEN1
SCHEMBL23768068 0.77 KDM4E (0.53) MAPTTSHRKDM4EALDH1A1KMT2A
SCHEMBL6299631 0.76 KDM4E (0.50) MAPTTSHRKDM4EALDH1A1KMT2A

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 7 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
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
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 2239/4885KDM4E 4549/4885

“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.