SCHEMBL22362684

SCHEMBL22362684

COc1ccc(C23CC(NC(=O)O)(C2)C3)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.48
▸ MAPT P10636 2/20 0.48
▸ NAAA Q02083 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ CNR2 P34972 1/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ HSD11B1 P28845 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CES2 O00748 2/20 0.39
▸ CES1 P23141 2/20 0.39

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
SCHEMBL28392276 0.81 LMNA (0.43) LMNAMAPTNAAASMN1; SMN2CNR2
SCHEMBL21220171 0.79 MEN1 (0.40) SMN1; SMN2L3MBTL1EPHX2CYP1A2KMT2A
SCHEMBL22362680 0.78 ATF4 (0.44) HSD11B1KMT2A
SCHEMBL21544698 0.78 NAAA (0.50) LMNAMAPTNAAASMN1; SMN2CA1
SCHEMBL25387067 0.77 NAAA (0.52) LMNAMAPTNAAASMN1; SMN2CA1
SCHEMBL18043699 0.76 CA1 (0.55) MAPTNAAACA1CA2ATM
SCHEMBL17924794 0.73 OPRM1 (0.46) ATML3MBTL1NPC1RAB9AMAPK1
SCHEMBL29598198 0.71 MEN1 (0.49) LMNANAAASMN1; SMN2CA1CA2
SCHEMBL22027030 0.71 NAAA (0.44) LMNAMAPTNAAASMN1; SMN2CA1
SCHEMBL30888343 0.71 NAAA (0.47) LMNANAAASMN1; SMN2HSD11B1

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-11242327-B2 Analgesic compounds RECURIUM IP HOLDINGS, LLC (US) 2022-02-08 — — US disclosed
US-20200270221-A1 ANALGESIC COMPOUNDS KTHERA, LLC 2020-08-27 — — 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-20200270221-A1 ANALGESIC COMPOUNDS INA, IK, ACHE LMNA 3965/4885MAPT 2670/4885NAAA 2117/4885
US-11242327-B2 Analgesic compounds INA, IK, ACHE LMNA 3965/4885MAPT 2670/4885NAAA 2117/4885

“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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