SCHEMBL2011715

SCHEMBL2011715

CC(C)NCCCCNS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
MMP2 P08253 6/20 0.51
MMP1 P03956 5/20 0.51
MMP3 P08254 5/20 0.51
MMP7 P09237 5/20 0.51
MMP9 P14780 5/20 0.51
MMP13 P45452 5/20 0.51
SIGMAR1 Q99720 4/20 0.51
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 2/20 0.48
POLB P06746 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 2/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL12570976 0.84 ALDH1A1 (0.62) GAAMMP2MMP1MMP3MMP7
SCHEMBL9780583 0.81 ALDH1A1 (0.67) GAAMMP2MMP1MMP3MMP7
SCHEMBL2011681 0.81 MMP1 (0.55) GAAMMP2MMP1MMP3MMP7
SCHEMBL2009051 0.81 MMP2 (0.59) GAAMMP2MMP1MMP3MMP7
SCHEMBL12627416 0.81 MMP1 (0.55) GAAMMP2MMP1MMP3MMP7
SCHEMBL12570977 0.80 CA12 (0.62) GAAMMP2MMP1MMP3MMP7
SCHEMBL12570903 0.79 MMP2 (0.57) GAAMMP2MMP1MMP3MMP7
SCHEMBL12570975 0.79 ALDH1A1 (0.62) GAAMMP2MMP1MMP3MMP7
SCHEMBL21820680 0.79 ALDH1A1 (0.72) GAASIGMAR1ALDH1A1KMT2APKM
SCHEMBL4766529 0.78 CA12 (0.61) ALDH1A1TDP1PKMSMN1; 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 3 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-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

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 GAA 3516/4885MMP2 1086/4885MMP1 76/4885

“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.