SCHEMBL20238613

SCHEMBL20238613

NC(=O)CCC(Nc1ccc(Oc2ccc(-n3cccc3)cc2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 9/20 0.60
▸ KMT2A Q03164 2/20 0.43
▸ JAK2 O60674 1/20 0.41
▸ MMP2 P08253 2/20 0.39
▸ MMP9 P14780 2/20 0.39
▸ AOC2 O75106 1/20 0.39
▸ CA1 P00915 2/20 0.38
▸ CA2 P00918 2/20 0.38
▸ F13A1 P00488 1/20 0.38
▸ TGM2 P21980 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ NSD2 O96028 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ GRK2 P25098 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ ALDH1A1 P00352 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
SCHEMBL3448329 0.77 KMT2A (0.64) LTA4HKMT2AMMP2MMP9CA1
SCHEMBL3448327 0.77 KMT2A (0.64) LTA4HKMT2AMMP2MMP9CA1
Hydrochloric Acid SCHEMBL23834278 0.76 KMT2A (0.62) LTA4HKMT2AMMP2MMP9CA1
SCHEMBL20995305 0.75 LTA4H (1.00) LTA4H
SCHEMBL20995304 0.75 LTA4H (1.00) LTA4H
SCHEMBL11651630 0.75 KMT2A (0.50) KMT2AJAK2MMP2MMP9CA1
SCHEMBL7711811 0.75 KMT2A (0.50) KMT2AMMP2MMP9CA1CA2
SCHEMBL11651627 0.75 KMT2A (0.50) KMT2AJAK2MMP2MMP9CA1
SCHEMBL5497956 0.74 KMT2A (0.49) KMT2AMMP2MMP9CA1CA2
SCHEMBL28103437 0.74 KMT2A (0.49) KMT2AJAK2MMP2MMP9CA1

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
EP-3551608-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE Celtaxsys Inc. (US) 2019-10-16 — — EP disclosed
US-20190161437-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS INC (US) 2019-05-30 — — US disclosed
US-10202334-B2 Pendant amines and derivatives as inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2019-02-12 — — US disclosed
WO-2018107167-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2018-06-14 — — WO disclosed
US-20180162804-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2018-06-14 — — 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 (3 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-20180162804-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTB4R, LTC4S LTA4H 1/4885KMT2A 2875/4885JAK2 2426/4885
US-10202334-B2 Pendant amines and derivatives as inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KMT2A 2875/4885JAK2 2426/4885
US-20190161437-A1 PENDANT AMINES AND DERIVATIVES AS INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R LTA4H 1/4885KMT2A 3232/4885JAK2 2462/4885

“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.

Send feedback