SCHEMBL16232173

SCHEMBL16232173

CC(C)(C(=O)Cl)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.45
CNR1 P21554 1/20 0.45
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 2/20 0.42
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
MMP1 P03956 2/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
MMP8 P22894 1/20 0.41
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL766883 0.83 PHGDH (0.48) CNR2CNR1HSD11B1ALDH1A1CA1
SCHEMBL12289440 0.81 F2 (0.46) CNR2CNR1HSD11B1ALDH1A1CA1
SCHEMBL16232172 0.81 HSD11B1 (0.46) HSD11B1ALDH1A1SMN1; SMN2
SCHEMBL351405 0.77 CNR2 (0.54) CNR2CNR1HSD11B1ALDH1A1CA1
SCHEMBL10177110 0.76 F2 (0.44) CNR2CNR1HSD11B1ALDH1A1CA1
SCHEMBL7945002 0.76 ALDH1A1 (0.61) HSD11B1ALDH1A1CA1CA2MMP1
SCHEMBL766844 0.75 NOD2 (0.44) CNR2CNR1ALDH1A1SMN1; SMN2CYP2C9
SCHEMBL10146291 0.74 F2 (0.46) CNR2CNR1HSD11B1ALDH1A1CA1
SCHEMBL350440 0.74 MMP1 (0.46) CNR2CNR1HSD11B1ALDH1A1CA1
SCHEMBL24513848 0.73 ALDH1A1 (0.44) CNR2CNR1HSD11B1ALDH1A1CA1

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-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers BIONOMICS LIMITED (AU) 2015-10-22 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 US disclosed
US-20140336198-A1 Amine Derivatives as Potassium Channel Blockers MERCK PATENT GMBH (DE) 2014-11-13 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 (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-20140336198-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 CNR2 740/4885CNR1 1015/4885HSD11B1 4199/4885
US-20150299184-A1 Amine Derivatives as Potassium Channel Blockers KCNA3, KCNH3, KCNK3 CNR2 740/4885CNR1 1015/4885HSD11B1 4199/4885

“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.