SCHEMBL24952910

SCHEMBL24952910

CCN(C[C@H](C)O)C(=O)Nc1ncc(Oc2cccc(C(F)(F)F)c2)s1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 6/20 0.42
▸ GAA P10253 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ BRAF P15056 2/20 0.39
▸ KDR P35968 2/20 0.39
▸ MAPK14 Q16539 2/20 0.39
▸ TNNI3K Q59H18 2/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL24953701 0.90 MMP2 (0.39) SCD
SCHEMBL24954559 0.89 SCD (0.43) SCDGAAKDM4EALDH1A1MEN1
SCHEMBL24953736 0.88 TLR8 (0.35) SCDKDM4EALDH1A1
SCHEMBL24953890 0.87 CCNE1 (0.46) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL24952901 0.86 MAPT (0.41) KMT2AMAPTL3MBTL1
SCHEMBL24953564 0.84 JAK2 (0.39) RAB9A
SCHEMBL24953737 0.83 GCK (0.44) ALDH1A1NPSR1
SCHEMBL24952962 0.83 GCK (0.44) ALDH1A1NPSR1
SCHEMBL24953935 0.83 GCK (0.37) ALDH1A1
SCHEMBL24953916 0.82 PSEN1 (0.40) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230029266-A1 MrgprX2 Antagonists for the Treatment of Inflammatory Disorders DERMIRA, INC. 2023-01-26 — — 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-20230029266-A1 MrgprX2 Antagonists for the Treatment of Inflammatory Disorders MRGPRX2, MRGPRX1, MRGPRX4 SCD 2396/4885GAA 596/4885KDM4E 3733/4885

“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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