SCHEMBL18048124

SCHEMBL18048124

N[C@H]1COCC[C@H]1NC(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 14/20 0.38
MAPK3 P27361 3/20 0.37
MAPK1 P28482 3/20 0.37
KCNH2 Q12809 2/20 0.37
AURKB Q96GD4 2/20 0.37
JAK2 O60674 1/20 0.37
LCK P06239 1/20 0.37
LYN P07948 1/20 0.37
JAK1 P23458 1/20 0.37
ZAP70 P43403 1/20 0.37
JAK3 P52333 1/20 0.37
TYRO3 Q06418 1/20 0.37
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33

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
SCHEMBL28518430 1.00 SYK (0.38) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL20703386 0.86 SYK (0.34) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL14332451 0.85 SYK (0.34) SYKMAPK3MAPK1KCNH2AURKB
Hydrochloric Acid SCHEMBL20959415 0.83 SYK (0.34) SYKKCNH2AURKBMMP2MMP9
SCHEMBL18048136 0.82 CHRM1 (0.30)
SCHEMBL16059434 0.82 GABRR1 (0.36) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL16059783 0.82 GABRR1 (0.36) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL17820639 0.82 GABRR1 (0.36) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL17838820 0.82 GABRR1 (0.36) SYKMAPK3MAPK1KCNH2AURKB
SCHEMBL20331134 0.79 FGFR4 (0.38) SYKMAPK3MAPK1KCNH2AURKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10155765-B2 Carboxamide inhibitors of IRAK4 activity MERCK SHARP & DOHME CORP. (US) 2018-12-18 US disclosed
US-20180051027-A1 CARBOXAMIDE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2018-02-22 US disclosed
EP-3268367-A1 CARBOXAMIDE INHIBITORS OF IRAK4 ACTIVITY Merck Sharp & Dohme Corp. (US) 2018-01-17 EP disclosed
WO-2016144844-A1 CARBOXAMIDE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2016-09-15 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-20180051027-A1 CARBOXAMIDE INHIBITORS OF IRAK4 ACTIVITY IRAK4, IRAK2, IRAK1 SYK 355/4885MAPK3 883/4885MAPK1 704/4885
US-10155765-B2 Carboxamide inhibitors of IRAK4 activity IRAK4, IRAK2, IRAK1 SYK 355/4885MAPK3 883/4885MAPK1 704/4885

“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.