SCHEMBL20183911

SCHEMBL20183911

CS(=O)(=O)OCC#Cc1ccc(C(=O)N2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ACACB O00763 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 3/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
PHGDH O43175 1/20 0.47
KDM4E B2RXH2 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 3/20 0.45
GLA P06280 1/20 0.44
HRH3 Q9Y5N1 3/20 0.44
GRM5 P41594 1/20 0.44
AKR1C3 P42330 1/20 0.43

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
SCHEMBL20183890 0.88 HPGD (0.51) HPGDSMN1; SMN2ACACBL3MBTL1ALDH1A1
SCHEMBL20183906 0.82 MEN1 (0.52) SMN1; SMN2MAPK1MAPTLMNAKMT2A
SCHEMBL20183883 0.79 HPGD (0.59) HPGDSMN1; SMN2ACACBL3MBTL1MAPK1
SCHEMBL28615017 0.78 HPGD (0.52) HPGDSMN1; SMN2ACACBL3MBTL1MAPK1
SCHEMBL28615015 0.76 HPGD (0.50) HPGDSMN1; SMN2ACACBL3MBTL1MAPK1
SCHEMBL20183922 0.74 MMP2 (0.31) MAPK1LMNAGRM5
SCHEMBL5048054 0.74 HPGD (0.59) HPGDSMN1; SMN2ACACBL3MBTL1MAPK1
SCHEMBL3644126 0.74 GRM5 (0.71) HPGDSMN1; SMN2ACACBL3MBTL1MAPK1
SCHEMBL21360559 0.72 HPGD (0.60) HPGDSMN1; SMN2ACACBL3MBTL1MAPK1
SCHEMBL3644132 0.72 EPHX2 (0.66) HPGDSMN1; SMN2ACACBL3MBTL1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HPGD 1789/4885SMN1; SMN2 3907/4885ACACB 2237/4885
US-10766857-B2 Compound having BLT inhibitory activity and composition, for preventing or treating inflammatory diseases, comprising same as active ingredient LTB4R2, CYSLTR2, LTB4R HPGD 1773/4885SMN1; SMN2 3790/4885ACACB 2234/4885
US-10179764-B2 Compound having BLT inhibitory activity and composition, for preventing or treating inflammatory diseases, comprising same as active ingredient LTB4R2, CYSLTR2, LTB4R HPGD 1773/4885SMN1; SMN2 3790/4885ACACB 2234/4885
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 HPGD 1789/4885SMN1; SMN2 3907/4885ACACB 2237/4885

“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.