SCHEMBL2008386

SCHEMBL2008386

O=S(=O)(Cl)Cl.O=[N+]([O-])c1cccc(-c2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
NPC1 O15118 3/20 0.55
MAPT P10636 3/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.55
KMT2A Q03164 2/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 2/20 0.52
PTPRC P08575 1/20 0.51
CA2 P00918 2/20 0.50
CA1 P00915 1/20 0.50
MMP1 P03956 1/20 0.50
MMP2 P08253 1/20 0.50
MMP9 P14780 1/20 0.50
MMP8 P22894 1/20 0.50
MMP13 P45452 1/20 0.50
CYP2C8 P10632 1/20 0.50

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
SCHEMBL29526232 0.91 TSHR (0.67) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2009026 0.91 TSHR (0.67) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL6804031 0.89 TSHR (0.64) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
Iodide SCHEMBL27148619 0.89 TSHR (0.64) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL30469335 0.89 TSHR (0.64) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7838339 0.89 LMNA (0.64) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
Formaldehyde SCHEMBL28138818 0.87 TSHR (0.61) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
Dinitrophenylene SCHEMBL28055356 0.87 TSHR (0.74) ALDH1A1LMNATSHRKMT2AGAA
SCHEMBL12570988 0.86 GAA (0.54) ALDH1A1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL27934981 0.86 ALDH1A1 (0.53) ALDH1A1NPC1MAPTRAB9ASMN1; 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 ALDH1A1 1548/4885NPC1 2616/4885MAPT 4559/4885

“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.