SCHEMBL17148997

SCHEMBL17148997

CC1(C)OB(c2cc(-c3nnco3)ccc2F)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 15/20 0.49
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38

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
SCHEMBL28644942 0.79 ALDH1A1 (0.62) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL3225396 0.77 NOTUM (0.54) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL17148998 0.76 NOTUM (0.48) NOTUMMAPK1LPLLIPG
SCHEMBL20904636 0.75 LIPG (0.62) LPLLIPG
SCHEMBL1016421 0.75 NOTUM (0.51) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL22325380 0.74 HPGD (0.49) NOTUMALDH1A1HPGDMAPK1KDM4E
SCHEMBL13466833 0.74 NOTUM (0.47) NOTUMALDH1A1HPGDMAPK1MAPT
SCHEMBL22035758 0.74 LIPG (0.57) LPLLIPG
SCHEMBL21147241 0.74 LIPG (0.57) LPLLIPG
SCHEMBL17148999 0.73 NOTUM (0.48) NOTUMMAPK1

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-2908824-B1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
US-9416129-B2 Tricyclic substituted thiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-9416129-B2 Tricyclic substituted thiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-08-16 US disclosed
US-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2015-10-08 US disclosed
US-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2015-10-08 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 (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-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP NOTUM 1404/4885ALDH1A1 734/4885HPGD 1298/4885

“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.