SCHEMBL6019030

SCHEMBL6019030

CN(CCC1CCC(CNCCCCCO)CC1)S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LSS P48449 5/20 0.40
THRB P10828 1/20 0.39
CXCR3 P49682 2/20 0.38
PKM P14618 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL6018469 1.00 LMNA (0.42) LMNAHTTSMN1; SMN2LSSTHRB
SCHEMBL6018463 1.00 LMNA (0.42) LMNAHTTSMN1; SMN2LSSTHRB
SCHEMBL6019033 1.00 LMNA (0.42) LMNAHTTSMN1; SMN2LSSTHRB
SCHEMBL6019930 0.84 LMNA (0.47) LMNAHTTSMN1; SMN2THRBCXCR3
SCHEMBL6019932 0.84 LMNA (0.47) LMNAHTTSMN1; SMN2THRBCXCR3
SCHEMBL6019007 0.82 LMNA (0.46) LMNAHTTSMN1; SMN2LSSTHRB
SCHEMBL6019003 0.82 LMNA (0.46) LMNAHTTSMN1; SMN2LSSTHRB
SCHEMBL6019371 0.80 LMNA (0.40) LMNAHTTSMN1; SMN2LSSTHRB
SCHEMBL6019376 0.80 LMNA (0.40) LMNAHTTSMN1; SMN2LSSTHRB
SCHEMBL6018696 0.79 TSHR (0.42) LMNAHTTSMN1; SMN2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1456171-B1 SUBSTITUTED CYCLOHEXANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-12-20 EP disclosed
US-20050272774-A1 Substituted cyclohexane derivatives ACKERMANN JEAN 2005-12-08 US disclosed
US-6953806-B2 Substituted cyclohexane derivatives HOFFMANN-LA ROCHE INC. (US) 2005-10-11 US disclosed
EP-1456171-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP disclosed
US-20030199550-A1 Substituted cyclohexane derivatives F.HOFFMANN-LA ROCHE AG (CH) 2003-10-23 US disclosed
WO-2003053919-A1 SUBSTITUTED CYCLOHEXANE DERIVATIVES F. HOFFMANN-LA-ROCHE AG (CH) 2003-07-03 WO 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 (2 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-20050272774-A1 Substituted cyclohexane derivatives LSS, CYP51A1, CYP8B1 LMNA 280/4885HTT 3749/4885SMN1; SMN2 4444/4885
US-20030199550-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 LMNA 485/4885HTT 3726/4885SMN1; SMN2 4467/4885

“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.