SCHEMBL18077280

SCHEMBL18077280

N[C@H]1COCC[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
GAA P10253 1/20 0.61
TSHR P16473 1/20 0.55
CPB1 P15086 2/20 0.53
EPHX1 P07099 1/20 0.49
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47
KDM1A O60341 2/20 0.47
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
RCOR1 Q9UKL0 1/20 0.46
DPP4 P27487 3/20 0.46
DPP7 Q9UHL4 3/20 0.46
KCNH2 Q12809 1/20 0.46

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
SCHEMBL20090282 0.90 ALDH1A1 (0.57) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL17852671 0.90 ALDH1A1 (0.57) ALDH1A1GAATSHRCPB1EPHX1
Hydrochloric Acid SCHEMBL28380483 0.89 ALDH1A1 (0.56) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL17888176 0.88 ALDH1A1 (0.61) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL17888177 0.88 ALDH1A1 (0.61) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL12987702 0.88 ALDH1A1 (0.57) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL19925393 0.86 ALDH1A1 (0.55) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL16597461 0.86 ALDH1A1 (0.55) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL14169394 0.85 ALDH1A1 (0.54) ALDH1A1GAATSHRCPB1EPHX1
SCHEMBL14169235 0.85 ALDH1A1 (0.54) ALDH1A1GAATSHRCPB1EPHX1

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
EP-3268367-B1 CARBOXAMIDE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME (US) 2022-10-05 EP disclosed
US-20180051027-A1 CARBOXAMIDE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2018-02-22 US disclosed
US-20180051027-A1 CARBOXAMIDE INHIBITORS OF IRAK4 ACTIVITY MERCK SHARP & DOHME CORP. (US) 2018-02-22 US 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 (1 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 ALDH1A1 1935/4885GAA 1614/4885TSHR 3920/4885

“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.