SCHEMBL2853527

SCHEMBL2853527

COc1ccc(OC)c(S(=O)(=O)NCC2(Cc3ccccc3)CCCCC2)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 1/20 0.52
KMT2A Q03164 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.47
L3MBTL3 Q96JM7 1/20 0.47

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
SCHEMBL5960104 0.78 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL2867340 0.74 CCR1 (0.43) SMN1; SMN2
SCHEMBL9140049 0.74 KEAP1 (0.51) ALDH1A1SMN1; SMN2
SCHEMBL2864238 0.73 ACLY (0.49) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL13079743 0.73 SMN1; SMN2 (0.70) ALDH1A1SMN1; SMN2MAPTHTTL3MBTL3
SCHEMBL28272842 0.71 CYP1A2 (0.54) ALDH1A1KMT2A
SCHEMBL9143782 0.71 CA12 (0.57) ALDH1A1SMN1; SMN2MAPTKMT2AHTT
SCHEMBL9140266 0.71 TSHR (0.49) ALDH1A1SMN1; SMN2MAPTKMT2ATSHR
SCHEMBL2853532 0.71 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTKMT2AHTT
SCHEMBL7064454 0.71 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTKMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2253328-A1 Cycloalkyl inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2010-11-24 EP disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION BRISTOL-MYERS SQUIBB COMPANY 2007-06-21 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-7202253-B2 Cycloalkyl inhibitors of potassium channel function BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-10 US disclosed
US-20050234106-A1 Cycloalkyl inhibitors of potassium channel function LLOYD JOHN 2005-10-20 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-20050234106-A1 Cycloalkyl inhibitors of potassium channel function KCNJ2, KCNN3, KCNQ5 ALDH1A1 4075/4885SMN1; SMN2 4281/4885MAPT 3616/4885
US-20070142333-A1 CYCLOALKYL INHIBITORS OF POTASSIUM CHANNEL FUNCTION KCNJ2, KCNN3, KCNQ5 ALDH1A1 4075/4885SMN1; SMN2 4281/4885MAPT 3616/4885

“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.