SCHEMBL9892856

SCHEMBL9892856

CCCS(=O)(=O)N1CCC1CC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 8/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.33
ALOX15 P16050 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTT P42858 1/20 0.33
MCOLN3 Q8TDD5 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
SCHEMBL9893174 0.89 TP53 (0.46) TP53TSHRALDH1A1LMNAKDM4E
SCHEMBL27326285 0.85 TSHR (0.44) TP53TSHRALDH1A1LMNAKDM4E
SCHEMBL27393948 0.82 SMYD3 (0.37) TP53TSHRALDH1A1LMNAPSEN1
SCHEMBL27326719 0.77 PSEN1 (0.39) TP53TSHRALDH1A1PSEN1PSEN2
SCHEMBL28323918 0.75 PSEN1 (0.38) TP53TSHRALDH1A1LMNAPSEN1
SCHEMBL14525470 0.73 TSHR (0.53) TP53TSHRALDH1A1LMNAPSEN1
SCHEMBL9891504 0.73 ALDH1A1 (0.35) ALDH1A1LMNAKDM4ENPC1RAB9A
SCHEMBL28933822 0.72 PSEN1 (0.36) TP53TSHRALDH1A1PSEN1PSEN2
SCHEMBL13154409 0.72 PSEN1 (0.36) TP53TSHRALDH1A1PSEN1PSEN2
SCHEMBL16333479 0.72 TSHR (0.59) TP53TSHRALDH1A1LMNAPSEN1

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-8383615-B2 Azetidine 2-carboxamide derivatives which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-02-26 US disclosed
US-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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 (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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 TP53 4827/4885TSHR 1019/4885ALDH1A1 1724/4885

“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.