SCHEMBL20183900

SCHEMBL20183900

CC(C)NS(=O)(=O)c1ccc(C#CCBr)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.47
MMP2 P08253 8/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
CA9 Q16790 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MMP3 P08254 4/20 0.45
MMP9 P14780 2/20 0.45
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 1/20 0.41
MMP1 P03956 1/20 0.40
GAA P10253 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
SCHEMBL20183913 0.84 MMP13 (0.50) MMP13MMP2CA12CA1CA2
SCHEMBL20183926 0.80 CA12 (0.45) MMP13MMP2CA12CA1CA2
SCHEMBL20183895 0.79 MMP13 (0.51) MMP13MMP2NPSR1MMP3MMP9
SCHEMBL7021143 0.75 NPSR1 (0.59) CA12CA1CA2ADRB2ADRB1
SCHEMBL8277063 0.75 MMP13 (0.60) MMP13MMP2NPSR1MMP3MMP9
SCHEMBL5649934 0.72 NPSR1 (0.65) MMP13MMP2NPSR1MMP9ALDH1A1
SCHEMBL3017227 0.72 MMP2 (0.60) MMP13MMP2CA12CA1CA2
SCHEMBL6500063 0.70 CA2 (0.62) MMP13MMP2CA12CA1CA2
SCHEMBL20183923 0.70 LMNA (0.56) ALDH1A1KMT2A
SCHEMBL27214045 0.70 NPSR1 (0.54) NPSR1ALDH1A1KMT2AGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108349874-B Compound having BLT inhibitory activity and composition for preventing or treating inflammatory disease comprising the same as active ingredient 东国大学校产学协力团 2021-07-27 CN disclosed
US-10766857-B2 Compound having BLT inhibitory activity and composition, for preventing or treating inflammatory diseases, comprising same as active ingredient DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2020-09-08 US disclosed
EP-3327000-B1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT UNIV DONGGUK IND ACAD COOP (KR) 2020-09-02 EP disclosed
US-20190071395-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2019-03-07 US disclosed
US-10179764-B2 Compound having BLT inhibitory activity and composition, for preventing or treating inflammatory diseases, comprising same as active ingredient DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2019-01-15 US disclosed
US-20180201573-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT DONGGUK UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION (KR) 2018-07-19 US disclosed
EP-3327000-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT Dongguk University Industry-Academic Cooperation Foundation (KR) 2018-05-30 EP 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 (4 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-20180201573-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT LTB4R2, CYSLTR2, LTB4R MMP13 756/4885MMP2 868/4885CA12 4039/4885
US-10766857-B2 Compound having BLT inhibitory activity and composition, for preventing or treating inflammatory diseases, comprising same as active ingredient LTB4R2, CYSLTR2, LTB4R MMP13 665/4885MMP2 859/4885CA12 4003/4885
US-10179764-B2 Compound having BLT inhibitory activity and composition, for preventing or treating inflammatory diseases, comprising same as active ingredient LTB4R2, CYSLTR2, LTB4R MMP13 665/4885MMP2 859/4885CA12 4003/4885
US-20190071395-A1 NOVEL COMPOUND HAVING BLT INHIBITORY ACTIVITY AND COMPOSITION, FOR PREVENTING OR TREATING INFLAMMATORY DISEASES, COMPRISING SAME AS ACTIVE INGREDIENT LTB4R2, CYSLTR2, LTB4R MMP13 756/4885MMP2 868/4885CA12 4039/4885

“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.