SCHEMBL12374588

SCHEMBL12374588

CC(C)Oc1ccc(S(=O)(=O)Nc2ncc(CF)cc2C(=O)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 3/20 0.42
CCR9 P51686 2/20 0.42
FFAR4 Q5NUL3 1/20 0.42
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MCL1 Q07820 1/20 0.41
ADAMTS4 O75173 1/20 0.40
MALT1 Q9UDY8 1/20 0.40
CHRNA7 P36544 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
BDKRB1 P46663 2/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL5673746 0.89 KAT6A (0.45) KAT6ACCR9FFAR4LMNAHTT
SCHEMBL12051676 0.86 KAT6A (0.47) KAT6ACCR9FFAR4LMNAHTT
SCHEMBL13077856 0.86 FFAR4 (0.50) KAT6ACCR9FFAR4LMNAHTT
SCHEMBL28860 0.86 KAT6A (0.45) KAT6ACCR9FFAR4LMNAHTT
SCHEMBL12051671 0.85 KAT6A (0.43) KAT6ACCR9FFAR4LMNAHTT
SCHEMBL28400 0.85 CCR9 (0.52) KAT6ACCR9FFAR4LMNAHTT
SCHEMBL29408 0.85 MEN1 (0.47) KAT6ACCR9FFAR4LMNAHTT
SCHEMBL5673759 0.85 ALDH1A1 (0.41) KAT6ACCR9FFAR4LMNAHTT
SCHEMBL27773 0.84 CCR9 (0.46) KAT6ACCR9FFAR4LMNAHTT
SCHEMBL12051672 0.83 KAT6A (0.43) KAT6ACCR9FFAR4LMNAHTT

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-7999109-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-08-16 US disclosed
US-7820717-B2 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-10-26 US disclosed
US-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF MILLENNNIUM PHARMACEUTICALS, INC. (US) 2010-04-15 US disclosed
US-20090054495-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2009-02-26 US disclosed
US-20080103180-A1 CCR9 inhibitors and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-05-01 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-20100093802-A1 CCR9 INHIBITORS AND METHODS OF USE THEREOF CCR9, CCR1, CCR4 KAT6A 3501/4885CCR9 1/4885FFAR4 1465/4885
US-20090054495-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 KAT6A 3501/4885CCR9 1/4885FFAR4 1465/4885
US-20080103180-A1 CCR9 inhibitors and methods of use thereof CCR9, CCR1, CCR4 KAT6A 3501/4885CCR9 1/4885FFAR4 1465/4885

“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.