SCHEMBL22650959

SCHEMBL22650959

CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)C(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HTT P42858 3/20 0.32
▸ CASP3 P42574 2/20 0.32
▸ SENP8 Q96LD8 2/20 0.32
▸ SENP7 Q9BQF6 2/20 0.32
▸ SENP6 Q9GZR1 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ GLA P06280 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ TDP1 Q9NUW8 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
SCHEMBL17485425 0.91 RAB9A (0.39) NPC1RAB9ASMN1; SMN2HTTCASP3
SCHEMBL23084630 0.90 NPC1 (0.35) NPC1RAB9ASMN1; SMN2HTTCASP3
SCHEMBL24496166 0.87 KCNH2 (0.36) NPC1RAB9ASMN1; SMN2HTTCASP3
SCHEMBL22651406 0.86 ELANE (0.38) NPC1RAB9ASMN1; SMN2HTTCASP3
SCHEMBL22651234 0.84 RAB9A (0.38) NPC1RAB9ASMN1; SMN2HTTCASP3
SCHEMBL24604432 0.84 NPC1 (0.35) NPC1RAB9ASMN1; SMN2HTTCASP3
SCHEMBL23698605 0.84 HTT (0.35) NPC1RAB9ASMN1; SMN2HTTCASP3
SCHEMBL23061476 0.83 HTT (0.37) NPC1RAB9ASMN1; SMN2HTTCASP3
SCHEMBL24604442 0.83 RAB9A (0.36) NPC1RAB9ASMN1; SMN2HTTCASP3
SCHEMBL25657151 0.82 NPC1 (0.39) NPC1RAB9ASMN1; SMN2HTTCASP3

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-20220213099-A1 PRODRUG COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2022-07-07 — — US disclosed
WO-2020227337-A1 PRODRUG COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-11-12 — — WO 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-20220213099-A1 PRODRUG COMPOUNDS TLR7, TLR4, TLR9 NPC1 2879/4885RAB9A 776/4885SMN1; SMN2 4232/4885

“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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