SCHEMBL3079383

SCHEMBL3079383

CC(C)(c1cnn[nH]1)N(CCN1CCOCC1)S(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.42
CD274 Q9NZQ7 1/20 0.41
EPHX2 P34913 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 1/20 0.39
PTGS2 P35354 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR2A P28223 3/20 0.37
HTR2C P28335 3/20 0.37
HTR7 P34969 2/20 0.37
PTGS1 P23219 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
MMP14 P50281 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 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
SCHEMBL3084563 0.80 RORC (0.36) HPGDKDM4E
SCHEMBL3088195 0.79 CD274 (0.45) TRPM8CD274EPHX2ALDH1A1HPGD
SCHEMBL3090512 0.67 MMP1 (0.42) MMP2MMP9MMP13CA1
Hydrochloric Acid SCHEMBL3079496 0.66 MMP1 (0.41) MMP2MMP9MMP13CA1
SCHEMBL3097360 0.65 KIF11 (0.41) ALDH1A1MMP2MMP9MMP13CA1
SCHEMBL4804657 0.62 HTR2A (0.57) EPHX2HTR2AHTR2CHTR7
SCHEMBL4804665 0.62 HTR2A (0.57) EPHX2HTR2AHTR2CHTR7
SCHEMBL2376923 0.61 SIGMAR1 (0.76) ALDH1A1CA12CA1CA9
SCHEMBL7998999 0.61 MMP9 (0.70) CD274EPHX2PTGS2MMP2MMP9
SCHEMBL3369730 0.61 EPHX2 (0.56) EPHX2ALDH1A1KDM4EHTR2ACA12

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 22 patents — showing the first 20. 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 claimed
WO-2008024784-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO claimed
EP-3483147-A1 METALLOENZYME INHIBITOR COMPOUNDS Innocrin Pharmaceuticals, Inc. (US) 2019-05-15 EP disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2018-08-09 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS INNOCRIN PHARMACEUTICALS, INC. 2017-05-25 US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2014-05-01 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-8623892-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2014-01-07 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-8389543-B2 Metalloenzyme inhibitor compounds VIAMET PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-24 US disclosed
WO-2012064943-A2 METALLOENZYME INHIBITOR COMPOUNDS VIAMET PHARMACEUTICALS, INC. (US) 2012-05-18 WO disclosed
US-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-09-16 US disclosed
US-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-09-16 US disclosed
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 (5 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 TRPM8 3974/4885CD274 4712/4885EPHX2 3155/4885
US-20140121248-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TRPM8 527/4885CD274 2006/4885EPHX2 1202/4885
US-20180221364-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TRPM8 527/4885CD274 2006/4885EPHX2 1202/4885
US-20170143694-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TRPM8 527/4885CD274 2006/4885EPHX2 1202/4885
US-20120129886-A1 METALLOENZYME INHIBITOR COMPOUNDS MMEL1, GPX1, MPO TRPM8 527/4885CD274 2006/4885EPHX2 1202/4885

“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.