SCHEMBL19844892

SCHEMBL19844892

N#Cc1nc(Cl)ccc1OC(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 2/20 0.40
CTSS P25774 2/20 0.35
CTSK P43235 2/20 0.35
SLC22A12 Q96S37 3/20 0.34
SLC1A5 Q15758 2/20 0.34
PGK1 P00558 1/20 0.34
KMO O15229 2/20 0.32
P2RX3 P56373 1/20 0.32
XDH P47989 1/20 0.31
HRH4 Q9H3N8 1/20 0.30
USP8 P40818 1/20 0.30
USP7 Q93009 1/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL19837398 0.79 MBOAT4 (0.40) MBOAT4CTSSCTSKXDHHRH4
SCHEMBL19851263 0.79 MBOAT4 (0.46) MBOAT4CTSSCTSKXDHHRH4
SCHEMBL19837353 0.79 MBOAT4 (0.40) MBOAT4CTSSCTSKXDHHRH4
SCHEMBL19837356 0.79 MBOAT4 (0.38) MBOAT4CTSSCTSKPGK1
Hydrochloric Acid SCHEMBL19837354 0.78 MBOAT4 (0.40) MBOAT4CTSSCTSKXDHHRH4
SCHEMBL20500522 0.77 USP8 (0.46) P2RX3USP8USP7
SCHEMBL30866463 0.77 USP8 (0.46) P2RX3USP8USP7
SCHEMBL26231767 0.76 MBOAT4 (0.41) MBOAT4P2RX3USP8USP7
SCHEMBL2302384 0.76 SLC1A5 (0.38) SLC1A5PGK1KMO
SCHEMBL31361182 0.76 SLC1A5 (0.38) SLC1A5PGK1KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9994591-B2 Oxadiazolopyridine derivates for use as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2018-06-12 US disclosed
US-20180037594-A1 Oxadiazolopyridine Derivates for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors BOEHRINGER INGELHEIM INERNATIONAL GMBH (DE) 2018-02-08 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-20180037594-A1 Oxadiazolopyridine Derivates for Use as Ghrelin O-Acyl Transferase (GOAT) Inhibitors MBOAT4, GIPR, ACAT1 MBOAT4 1/4885CTSS 4341/4885CTSK 3945/4885

“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.