SCHEMBL3082870

SCHEMBL3082870

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 1/20 0.46
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
TP53 P04637 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 1/20 0.40
KIT P10721 1/20 0.40

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
SCHEMBL3091468 0.88 MMP1 (0.49) MEP1BCYP2C19CA1CA2CA9
SCHEMBL3079705 0.87 CYP19A1 (0.51) CYP19A1CA1CA2KMT2AALDH1A1
SCHEMBL3088605 0.86 CYP3A4 (0.48) MEP1BCYP19A1CYP2C19MAPTKMT2A
SCHEMBL3093197 0.86 HTT (0.52) CYP19A1CA9MAPTKMT2AALDH1A1
SCHEMBL3090320 0.83 ALDH1A1 (0.51) MEP1BCYP19A1MAPTKMT2AALDH1A1
SCHEMBL22233855 0.66 CYP19A1 (0.65) CYP19A1CA1CA2CA9KMT2A
SCHEMBL28129548 0.66 CA1 (0.71) MEP1BCA1CA2MAPTKMT2A
SCHEMBL6289448 0.65 CYP19A1 (0.78) CYP19A1CA1CA2CA9KMT2A
SCHEMBL21332355 0.65 CA1 (0.52) CYP19A1CYP2C19RECQLCA1CA2
SCHEMBL857198 0.65 GLRA3 (0.50) CYP19A1CA1CA2CA9MAPT

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
WO-2008024784-A1 ALKYLSULFONAMIDE-SUBSTITUTED TRIAZOLES AS MATRIX METALLOPROTEASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2008-02-28 WO 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

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 MEP1B 759/4885CYP19A1 815/4885CYP2C19 183/4885

“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.