SCHEMBL2008336

SCHEMBL2008336

NC(=O)CCCOS(=O)(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.38
EIF4E P06730 3/20 0.38
PDK2 Q15119 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KIF11 P52732 1/20 0.35
ADAMTS4 O75173 1/20 0.35
HRH2 P25021 1/20 0.35
HRH1 P35367 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
ADORA1 P30542 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SLC9A1 P19634 1/20 0.33
CDC7 O00311 1/20 0.33

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
SCHEMBL2010419 0.83 FFAR4 (0.41) FFAR4PDK2
SCHEMBL2006864 0.82 ALDH1A1 (0.47) ALDH1A1TDP1ADAMTS4HRH2HRH1
SCHEMBL2010610 0.79 ALDH1A1 (0.46) ALDH1A1TDP1ADAMTS4HRH2HRH1
SCHEMBL2009350 0.75 TRPV4 (0.35) FFAR4PDK2THRB
SCHEMBL2008334 0.74 ALOX5AP (0.42) ALDH1A1TDP1ADAMTS4CYP3A4CYP2C19
SCHEMBL2008373 0.72 FFAR4 (0.52) FFAR4PDK2
SCHEMBL12627934 0.69 ALDH1A1 (0.50) EIF4EALDH1A1TDP1ADORA1
SCHEMBL2007224 0.69 PTGS2 (0.42) FFAR4PDK2
SCHEMBL28260267 0.68 BCAT2 (0.45) EIF4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL2009300 0.68 KIF11 (0.47) KIF11

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 FFAR4 1520/4885EIF4E 3420/4885PDK2 2535/4885

“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.