SCHEMBL26965347

SCHEMBL26965347

Cc1nnc(C[C@H](CC(C)C)NC(=O)O)s1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ POLB P06746 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ PSMD14 O00487 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ MME P08473 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL27135267 1.00 NPC1 (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL24387812 0.83 AAK1 (0.44) MEN1KMT2ALMNATP53HTT
SCHEMBL24387833 0.80 ALDH1A1 (0.34) NPC1RAB9ASMN1; SMN2POLBALDH1A1
SCHEMBL24387624 0.78 ALDH1A1 (0.33) ALDH1A1
SCHEMBL26965355 0.74 FDPS (0.44) ALDH1A1LMNA
SCHEMBL27127787 0.74 FDPS (0.44) ALDH1A1LMNA
SCHEMBL13171540 0.72 ALDH1A1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL24387807 0.70 SMN1; SMN2 (0.36) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL27135608 0.70 GPR88 (0.37) NPC1RAB9AALDH1A1LMNA
SCHEMBL26965335 0.70 GPR88 (0.37) NPC1RAB9AALDH1A1LMNA

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-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE AMGEN INC. 2023-12-21 — — 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-20230406860-A1 HETEROCYCLIC SPIRO COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS NPC1 2495/4885RAB9A 66/4885SMN1; SMN2 1008/4885

“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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