SCHEMBL2006185

SCHEMBL2006185

O=S(=O)(NCCCCCO)c1cccc(Br)c1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
ATM Q13315 1/20 0.63
ALDH1A1 P00352 5/20 0.54
PKM P14618 5/20 0.54
KDM4E B2RXH2 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
CYP2C19 P33261 1/20 0.50
KAT6A Q92794 1/20 0.49
GAA P10253 2/20 0.49
TBXA2R P21731 2/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.44
BRD4 O60885 1/20 0.43

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
SCHEMBL17843468 1.00 L3MBTL1 (0.64) L3MBTL1ATMALDH1A1PKMKDM4E
SCHEMBL12570968 0.98 ATM (0.65) L3MBTL1ATMALDH1A1PKMKDM4E
SCHEMBL2377180 0.94 ATM (0.67) L3MBTL1ATMALDH1A1PKMKDM4E
SCHEMBL30015741 0.88 ATM (0.70) L3MBTL1ATMALDH1A1PKMCYP2C19
SCHEMBL1348672 0.88 ATM (0.70) L3MBTL1ATMALDH1A1PKMCYP2C19
SCHEMBL5505553 0.84 FBP1 (0.59) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL5499591 0.81 ALDH1A1 (0.59) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL2013273 0.81 ALDH1A1 (0.59) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL14938149 0.81 CA12 (0.58) L3MBTL1ATMALDH1A1PKMKDM4E
SCHEMBL8595157 0.81 ALDH1A1 (0.82) ALDH1A1PKMKDM4ELMNASMN1; SMN2

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 L3MBTL1 305/4885ATM 3326/4885ALDH1A1 1548/4885

“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.