SCHEMBL2010610

SCHEMBL2010610

NC(=O)CCCCOS(=O)(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ADAMTS4 O75173 1/20 0.45
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
LMNA P02545 2/20 0.36
ADORA1 P30542 1/20 0.36
F2 P00734 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
PRSS3 P35030 2/20 0.36
AVPR2 P30518 1/20 0.36
AVPR1A P37288 1/20 0.36
SLC9A1 P19634 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CDC7 O00311 1/20 0.35
CTSD P07339 1/20 0.35
NPC1 O15118 2/20 0.35
HDAC3 O15379 1/20 0.35

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
SCHEMBL2006864 0.96 ALDH1A1 (0.47) ALDH1A1TDP1ADAMTS4HRH2HRH1
SCHEMBL2004234 0.81 MMP2 (0.50) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2013598 0.80 ICMT (0.42) ALDH1A1LMNAHTT
SCHEMBL2013532 0.79 HDAC3 (0.42) ALDH1A1LMNAHDAC3HDAC4HDAC1
SCHEMBL2008373 0.79 FFAR4 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2008336 0.79 FFAR4 (0.38) ALDH1A1TDP1ADAMTS4HRH2HRH1
SCHEMBL27513554 0.78 ALDH1A1 (0.49) ALDH1A1TDP1ADAMTS4HRH2HRH1
SCHEMBL2011669 0.78 ALDH1A1 (0.46) ALDH1A1MAPT
SCHEMBL2010244 0.78 MMP2 (0.37) LMNA
SCHEMBL2005594 0.76 MMP2 (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2

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 ALDH1A1 1548/4885TDP1 2123/4885ADAMTS4 4082/4885

“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.