SCHEMBL4584618

SCHEMBL4584618

CS(=O)(=O)NC(=O)c1ccc(Br)cc1NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 4/20 0.51
ADRB1 P08588 2/20 0.51
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA3 P07451 3/20 0.44
CA6 P23280 3/20 0.44
CA7 P43166 3/20 0.44
CA12 O43570 2/20 0.44
CA4 P22748 2/20 0.44
CA9 Q16790 2/20 0.44
CA13 Q8N1Q1 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA5A P35218 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
SCN9A Q15858 1/20 0.43
YAP1 P46937 1/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL4584443 0.80 CA1 (0.50) CA1CA2CA3CA6CA7
SCHEMBL4583665 0.79 YAP1 (0.55) HDAC8YAP1ALDH1A1KMT2AALOX15
SCHEMBL4583343 0.78 ADRB3 (0.45) ADRB3ADRB1CA1CA2CA3
SCHEMBL4583979 0.78 ADRB1 (0.47) ADRB3ADRB1ALDH1A1
SCHEMBL27667998 0.77 CA12 (0.43) CA1CA2CA3CA6CA7
SCHEMBL31535175 0.75 YAP1 (0.50) YAP1ALDH1A1ALOX15
SCHEMBL18908942 0.74 SCN9A (0.56) HDAC8SCN9A
SCHEMBL18908956 0.74 SCN9A (0.53) SCN9A
SCHEMBL27172111 0.72 ACLY (0.49) CA1CA2CA3CA6CA7
SCHEMBL15566591 0.72 ABCG2 (0.47) YAP1MAPTALDH1A1

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-7417060-B2 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2008-08-26 US disclosed
EP-1697301-A2 AMINOALCOHOL DERIVATIVES Astellas Pharma Inc. (JP) 2006-09-06 EP disclosed
WO-2005061433-A2 AMINOALCOHOL DERIVATIVES ASTELLAS PHARMA INC. (JP) 2005-07-07 WO disclosed
US-20050137236-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-06-23 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-20050137236-A1 Aminoalcohol derivatives GPR39, PRMT9, CHRM2 ADRB3 86/4885ADRB1 70/4885CA1 2649/4885

“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.