SCHEMBL2006188

SCHEMBL2006188

NC(=O)CCCCOS(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.45
PARP1 P09874 1/20 0.39
C1S P09871 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 1/20 0.37
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
KAT6A Q92794 1/20 0.37
KMT2A Q03164 2/20 0.36
BRD4 O60885 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL28295339 0.83 ATM (0.44) ATMEGFRERBB2KAT6AKMT2A
SCHEMBL2007613 0.77 ALDH1A1 (0.46) KMT2AALDH1A1MAPTL3MBTL1CA12
SCHEMBL18459892 0.77 ATM (0.40) ATMKMT2AL3MBTL1CA2MEN1
SCHEMBL2004234 0.74 MMP2 (0.50) KDM4ECA12CA1CA2CA9
SCHEMBL2009054 0.74 CA2 (0.46) ALDH1A1MAPTCA12CA2CA9
SCHEMBL4243805 0.73 ATM (0.42) ATMKMT2AALDH1A1L3MBTL1CA12
SCHEMBL2007483 0.73 CA2 (0.37) CA12CA1CA2CA7CA9
SCHEMBL2011858 0.73 ABL1 (0.43) KMT2AALDH1A1L3MBTL1CA2MEN1
SCHEMBL9709447 0.73 ALDH1A1 (0.51) KMT2AALDH1A1MAPTCA12CA1
SCHEMBL3904766 0.72 ALDH1A1 (0.50) ATMPARP1C1SPKMEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7964643-B2 Biphenyl-4-sulfonic acid-(4-hydroxybutyl)-amide and derivatives; inhibits osteoclast survival, formation, and/or activity and/or inhibits bone resorption; osteoporosis, rheumatoid arthritis, cancer associated bone disease, Paget's disease, antiinflammatory, -carcinogenic agents; immunostimulants THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2011-06-21 US disclosed
EP-1756046-B1 ARYL ALKYL SULFONAMIDES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS UNIV ABERDEEN (GB) 2009-12-09 EP disclosed
US-20080119555-A1 Aryl Alkyl Sulfonamides As Therapeutic Agents For The Treatment Of Bone Conditions THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2008-05-22 US disclosed
EP-1756046-A2 ARYL ALKYL SULFONAMIDES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS The University Court of The University of Aberdeen (GB) 2007-02-28 EP disclosed
WO-2005118528-A2 ARYL ALKYL SULFONAMIDES AS THERAPEUTIC AGENTS FOR THE TREATMENT OF BONE CONDITIONS THE UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2005-12-15 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-20080119555-A1 Aryl Alkyl Sulfonamides As Therapeutic Agents For The Treatment Of Bone Conditions ARSA, CNKSR1, BCL9L ATM 3326/4885PARP1 1991/4885C1S 448/4885

“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.