SCHEMBL3079705

SCHEMBL3079705

O=S(=O)(NCc1cnn[nH]1)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.51
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 2/20 0.45
SCN3A Q9NY46 1/20 0.44
KIF11 P52732 4/20 0.43
NAMPT P43490 1/20 0.42
MMP7 P09237 2/20 0.41
MMP9 P14780 2/20 0.41
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP13 P45452 1/20 0.41
NPY5R Q15761 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM1A O60341 1/20 0.40
MMP10 P09238 1/20 0.40
HDAC4 P56524 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
SCHEMBL3082870 0.87 MEP1B (0.47) CYP19A1CA1CA2NAMPTMEN1
SCHEMBL3091468 0.85 MMP1 (0.49) CA1CA2MMP1MMP7MMP9
SCHEMBL3093197 0.84 HTT (0.52) CYP19A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3088605 0.84 CYP3A4 (0.48) CYP19A1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL3090320 0.81 ALDH1A1 (0.51) CYP19A1KMT2ALMNASMN1; SMN2ALDH1A1
SCHEMBL3097360 0.76 KIF11 (0.41) CYP19A1CA1CA2MMP1KIF11
SCHEMBL3090512 0.75 MMP1 (0.42) CA1CA2MMP1KIF11MMP7
Hydrochloric Acid SCHEMBL3079496 0.74 MMP1 (0.41) CA1CA2MMP1KIF11MMP7
SCHEMBL1954496 0.69 CYP19A1 (0.80) CYP19A1CA1CA2MMP1SCN3A
SCHEMBL4789118 0.69 KDM4E (0.53) CA1CA2SMN1; SMN2ALDH1A1POLB

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-20100234378-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2010-09-16 US claimed
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 (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 CYP19A1 815/4885CA1 2815/4885CA2 1320/4885

“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.