SCHEMBL2008353

SCHEMBL2008353

NCCCCNS(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
PKM P14618 2/20 0.64
KDM4E B2RXH2 2/20 0.64
LMNA P02545 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HDAC1 Q13547 1/20 0.59
HDAC2 Q92769 1/20 0.59
MMP2 P08253 3/20 0.58
MMP9 P14780 3/20 0.58
MMP1 P03956 2/20 0.55
MMP12 P39900 2/20 0.55
GAA P10253 2/20 0.55
TBXA2R P21731 1/20 0.53
CYP3A4 P08684 4/20 0.52
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2D6 P10635 2/20 0.52
IKBKB O14920 1/20 0.52
MEN1 O00255 2/20 0.51

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
SCHEMBL6671584 0.90 ALDH1A1 (0.79) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL11649813 0.88 ALDH1A1 (0.82) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL11623917 0.88 ALDH1A1 (0.82) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL11807867 0.88 ALDH1A1 (0.82) ALDH1A1PKMKDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL11628667 0.87 ALDH1A1 (0.79) ALDH1A1PKMKDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL29141937 0.87 CYP3A4 (0.64) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL2011681 0.86 MMP1 (0.55) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL6437093 0.84 ALDH1A1 (0.75) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL12628089 0.84 ALDH1A1 (0.64) ALDH1A1PKMKDM4ELMNASMN1; SMN2
SCHEMBL2930825 0.84 ALDH1A1 (0.64) 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 8 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
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
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
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
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors SCHERING CORPORATION 2007-02-15 US disclosed
US-20060264415-A1 Inhibitors of histone deacetylase METHYLGENE INC. 2006-11-23 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 (3 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-20060264415-A1 Inhibitors of histone deacetylase HDAC1, HDAC3, HDAC11 ALDH1A1 781/4885PKM 2287/4885KDM4E 67/4885
US-20080119555-A1 Aryl Alkyl Sulfonamides As Therapeutic Agents For The Treatment Of Bone Conditions ARSA, CNKSR1, BCL9L ALDH1A1 1548/4885PKM 4242/4885KDM4E 518/4885
US-20070037824-A1 Enzyme inhibitors from pyrazolo[1,5a]pyrimidine as enzyme inhibitors CDK2, CDK5, CDKN1A ALDH1A1 1299/4885PKM 344/4885KDM4E 462/4885

“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.