SCHEMBL1267271

SCHEMBL1267271

O=S(=O)(Nc1[c]cccc1)C1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.40
PGAM1 P18669 1/20 0.40
ACLY P53396 1/20 0.39
HDAC4 P56524 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.35
SGK1 O00141 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
BRPF1 P55201 1/20 0.35
MAP2K4 P45985 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
FPR1 P21462 1/20 0.33
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL3648948 0.93 HDAC4 (0.40) BRD4PGAM1ACLYHDAC4MRGPRX1
SCHEMBL9466731 0.74 CA1 (0.48)
SCHEMBL17404466 0.73 BRD4 (0.51) BRD4PGAM1ACLYHDAC4SGK1
SCHEMBL10650094 0.72 BRD4 (0.52) BRD4PGAM1ACLYHDAC4SGK1
SCHEMBL2989196 0.71 ACP1 (0.33)
SCHEMBL97872 0.71 KEAP1 (0.48) PTGS2
SCHEMBL16966402 0.71 ALDH1A1 (0.33) TDP1
SCHEMBL1267272 0.70 SGK1 (0.43) BRD4PGAM1ACLYHDAC4SGK1
SCHEMBL5387287 0.68 KEAP1 (0.32)
SCHEMBL2206469 0.68 PSIP1 (0.46) PTGS1PTGS2

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
EP-1817032-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP claimed
US-20060287303-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-12-21 US claimed
WO-2006058294-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 WO claimed
US-7880007-B2 such as 1-bicyclo[2.2.1]hept-2-yl-4-(4-methoxy-2-methyl-phenyl)-piperidine, used for the treatment of chronic obstructive pulmonary disease, asthma, urinary incontinence, vision defects and Alzheimer's disease VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-02-01 US disclosed
EP-1817032-A2 MODULATORS OF MUSCARINIC RECEPTORS Vertex Pharmaceuticals Incorporated (US) 2007-08-15 EP disclosed
US-20060287303-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2006-12-21 US disclosed
WO-2006058294-A2 MODULATORS OF MUSCARINIC RECEPTORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-06-01 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 (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-20060287303-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 BRD4 764/4885PGAM1 3147/4885ACLY 2945/4885

“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.