SCHEMBL5848110

SCHEMBL5848110

COC(=O)C1CCOc2ccc(CNS(C)(=O)=O)cc21

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.42
KMT2A Q03164 2/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
NPY5R Q15761 1/20 0.36

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
SCHEMBL5848113 1.00 STING1 (0.42) STING1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5848117 1.00 STING1 (0.42) STING1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5848472 0.88 STING1 (0.45) STING1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5848477 0.88 STING1 (0.45) STING1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL5848481 0.88 STING1 (0.45) STING1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL6531271 0.84 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2PTGDR2PKMALDH1A1
SCHEMBL6531275 0.84 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2PTGDR2PKMALDH1A1
SCHEMBL6527466 0.82 PTGDR2 (0.38) SMN1; SMN2PTGDR2POLB
SCHEMBL5846752 0.82 PTGDR2 (0.38) SMN1; SMN2PTGDR2POLB
Hydrochloric Acid SCHEMBL5846749 0.81 PTGDR2 (0.37) SMN1; SMN2PTGDR2POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034051-B2 Fused bicyclic carboxamide derivatives and methods of their use ADOLOR CORPORATION (US) 2006-04-25 US disclosed
WO-2005023799-A1 FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE ADOLOR CORPORATION (US) 2005-03-17 WO disclosed
US-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use CUBIST PHARMACEUTICALS, INC. 2005-03-10 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-20050054630-A1 Fused bicyclic carboxamide derivatives and methods of their use PAICS, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CPS1 STING1 4509/4885KMT2A 2410/4885SLC6A2 2229/4885

“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.