SCHEMBL21973983

SCHEMBL21973983

CC(CCCS)COP(=O)(O)OCC[N+](C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FABP3 P05413 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 2/20 0.34
▸ AKT1 P31749 2/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ CDC25A P30304 1/20 0.34
▸ AGTR1 P30556 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ PLA2G1B P04054 1/20 0.33
▸ PLA2G2A P14555 1/20 0.33
▸ PRKD3 O94806 1/20 0.33
▸ PRKCG P05129 1/20 0.33
▸ PRKCB P05771 1/20 0.33
▸ PRKCA P17252 1/20 0.33
▸ PRKCH P24723 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ PRKCE Q02156 1/20 0.33
▸ PRKCQ Q04759 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
SCHEMBL21973823 0.83 FABP3 (0.42) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL10013704 0.82 SMN1; SMN2 (0.50) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL21973787 0.81 FABP3 (0.42) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL13480679 0.80 FABP3 (0.48) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL8522163 0.79 LMNA (0.50) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL5959370 0.78 FABP3 (0.48) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL25857265 0.76 SMN1; SMN2 (0.46) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL14448032 0.75 FABP3 (0.44) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL13299315 0.75 SMN1; SMN2 (0.49) FABP3SMN1; SMN2LMNAAKT1ESR1
SCHEMBL21973977 0.74 FABP3 (0.41) FABP3SMN1; SMN2LMNAAKT1ESR1

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-11007276-B2 Intracellular substance transport system and use thereof NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2021-05-18 — — US disclosed
US-20200138973-A1 INTRACELLULAR SUBSTANCE TRANSPORT SYSTEM AND USE THEREOF NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2020-05-07 — — 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 (2 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-20200138973-A1 INTRACELLULAR SUBSTANCE TRANSPORT SYSTEM AND USE THEREOF CTSS, CTSA, CTSB FABP3 3322/4885SMN1; SMN2 2391/4885LMNA 1178/4885
US-11007276-B2 Intracellular substance transport system and use thereof CTSS, CTSA, CTSB FABP3 3322/4885SMN1; SMN2 2391/4885LMNA 1178/4885

“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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