SCHEMBL3072813

SCHEMBL3072813

C#CC(C)(C)N(CCOC)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 7/20 0.40
RORC P51449 1/20 0.39
MMP13 P45452 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TRPV4 Q9HBA0 1/20 0.36
CACNA1H O95180 1/20 0.35
CACNA1B Q00975 1/20 0.35
ADAMTS4 O75173 1/20 0.35

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
SCHEMBL3084563 0.76 RORC (0.36) KIF11RORCMMP3LMNAHPGD
SCHEMBL3071850 0.66 KIF11 (0.50) KIF11MMP13MMP1MMP2MMP3
SCHEMBL4024323 0.66 SIGMAR1 (0.39) RORCALDH1A1LMNAHPGDKDM4E
SCHEMBL14376251 0.65 CASP3 (0.51) RORCMMP13MMP2MMP7ALDH1A1
SCHEMBL12571055 0.64 HDAC4 (0.48) KIF11LMNASMN1; SMN2TRPV4HTT
SCHEMBL3440071 0.63 BDKRB1 (0.46) MMP3ALDH1A1LMNATRPV4BMP1
SCHEMBL7680272 0.63 HSD11B1 (0.49) KIF11MMP13MMP1MMP2MMP3
SCHEMBL2005595 0.63 LSS (0.50) KIF11MMP3TRPV4
SCHEMBL13465623 0.62 TRPV4 (0.67) KIF11MMP3ALDH1A1LMNAKDM4E
SCHEMBL7506839 0.62 PTGS2 (0.72) KIF11PTGS2

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-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-09-16 US disclosed
WO-2008024784-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2008-02-28 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-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS MMP3, MMP11, MMP13 KIF11 1231/4885RORC 3848/4885MMP13 3/4885

“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.