SCHEMBL16127984

SCHEMBL16127984

CCNCc1ccc(N2CCCC(C(=O)O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 6/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ F2 P00734 2/20 0.43
▸ F10 P00742 2/20 0.43
▸ ITGB3 P05106 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ S1PR5 Q9H228 2/20 0.42
▸ BCL9 O00512 2/20 0.41
▸ CTNNB1 P35222 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL17570347 0.87 KMT2A (0.47) NOTUMALDH1A1MAPTMAPK1KDM4E
SCHEMBL10299420 0.85 NOTUM (0.55) NOTUMALDH1A1MAPTMAPK1KDM4E
SCHEMBL19618204 0.80 HPGD (0.42) ALDH1A1MAPTMAPK1KDM4EMEN1
SCHEMBL4961935 0.76 NOTUM (0.81) NOTUMALDH1A1MAPTMAPK1KDM4E
SCHEMBL613112 0.76 NOTUM (0.81) NOTUMALDH1A1MAPTMAPK1KDM4E
SCHEMBL27671612 0.76 NOTUM (0.56) NOTUMALDH1A1MAPTMAPK1KDM4E
SCHEMBL20271115 0.76 NOTUM (0.82) NOTUMALDH1A1MAPTMAPK1KDM4E
SCHEMBL16695575 0.76 NOTUM (0.82) NOTUM
SCHEMBL4490863 0.74 SYK (0.48) NOTUMALDH1A1MAPTMAPK1KDM4E
SCHEMBL10174567 0.74 ALDH1A1 (0.51) ALDH1A1MAPTMAPK1KDM4EMEN1

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-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE GRA VENTURE FUND, LLC 2018-05-03 — — US disclosed
US-9822106-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-11-21 — — US disclosed
US-9822106-B2 Inhibitors of leukotriene A4 hydrolase CELTAXSYS, INC. (US) 2017-11-21 — — US disclosed
US-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 — — US disclosed
US-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELLTAXIS, LLC 2016-03-10 — — US disclosed
WO-2014152536-A2 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE CELTAXSYS, INC. (US) 2014-09-25 — — 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 (2 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-20160068522-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R NOTUM 243/4885ALDH1A1 490/4885MAPT 4534/4885
US-20180118735-A1 INHIBITORS OF LEUKOTRIENE A4 HYDROLASE LTA4H, LTC4S, LTB4R NOTUM 243/4885ALDH1A1 490/4885MAPT 4534/4885

“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.

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