SCHEMBL7140775

SCHEMBL7140775

CCCCCN(C(=O)COCc1ccccc1)S(=O)(=O)CN(CCCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 1/20 0.43
PAX8 Q06710 1/20 0.43
CA12 O43570 7/20 0.40
CA1 P00915 7/20 0.40
CA2 P00918 7/20 0.40
CA4 P22748 3/20 0.39
CNR2 P34972 2/20 0.38
ALOX5 P09917 1/20 0.38
KCNH2 Q12809 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7138159 0.87 CCR6 (0.38) CCR6PAX8CA12CA1CA2
SCHEMBL27990536 0.77 CCR6 (0.66) CCR6PAX8CNR2KCNH2ALDH1A1
SCHEMBL25628629 0.76 CCR6 (0.64) CCR6PAX8CNR2KCNH2ALDH1A1
SCHEMBL15508590 0.74 CCR6 (0.63) CCR6PAX8CNR2KCNH2ALDH1A1
SCHEMBL28271583 0.73 CCR6 (0.58) CCR6PAX8CNR2ALDH1A1CYP3A4
SCHEMBL17275425 0.73 CCR6 (0.61) CCR6PAX8CNR2KCNH2ALDH1A1
SCHEMBL7230861 0.73 ALDH1A1 (0.54) CNR2ALOX5ALDH1A1CYP3A4TSHR
SCHEMBL14476880 0.73 CCR6 (0.63) CCR6PAX8ALDH1A1CYP3A4TSHR
SCHEMBL27345619 0.72 CCR6 (0.56) CCR6PAX8CNR2KCNH2ALDH1A1
SCHEMBL13661575 0.72 CCR6 (0.64) CCR6PAX8CNR2KCNH2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030092634-A1 Novel compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. 2003-05-15 US disclosed
US-6506733-B1 Which process comprises hydrogenating a compound of Formula 9: presence of a catalytic amount of 20% palladium hydroxide on carbon. AXYS PHARMACEUTICALS, INC. 2003-01-14 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-20030092634-A1 Novel compounds and compositions as protease inhibitors SERPINB1, HPN, CTRL CCR6 2751/4885PAX8 4614/4885CA12 921/4885

“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.