SCHEMBL24952984

SCHEMBL24952984

CCN(C[C@H](C)O)C(=O)Nc1ncc(Oc2ccc(C(=O)OC)cc2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GCK P35557 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ CSNK2A2 P19784 3/20 0.37
▸ CSNK2A1 P68400 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL24952962 0.88 GCK (0.44) ALDH1A1GCKSMN1; SMN2NPSR1
SCHEMBL24953737 0.88 GCK (0.44) ALDH1A1GCKSMN1; SMN2NPSR1
SCHEMBL24953890 0.88 CCNE1 (0.46) MAPTALDH1A1CSNK2A2CSNK2A1RAB9A
SCHEMBL24954560 0.86 GCK (0.35) MAPTALDH1A1GCKCSNK2A2CSNK2A1
SCHEMBL24954124 0.86 GCK (0.37) MAPTALDH1A1GCKRAB9ANPC1
SCHEMBL24953654 0.85 TRPM8 (0.38) MAPTALDH1A1LMNARAB9APOLB
SCHEMBL24953701 0.85 MMP2 (0.39) GCKLMNA
SCHEMBL24953926 0.85 TRPM8 (0.38) MAPTALDH1A1LMNARAB9APOLB
SCHEMBL24954289 0.85 RAB9A (0.39) MAPTALDH1A1GCKLMNARAB9A
SCHEMBL24952913 0.85 GCK (0.38) ALDH1A1GCKSMN1; SMN2

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 GAA 596/4885TSHR 943/4885MAPT 3161/4885

“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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