SCHEMBL5848477

SCHEMBL5848477

CS(=O)(=O)NCc1ccc2c(c1)[C@@H](C(=O)O)CCO2

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 1/20 0.45
PTGDR2 Q9Y5Y4 12/20 0.44
KMT2A Q03164 1/20 0.44
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 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
SCHEMBL5848472 1.00 STING1 (0.45) STING1PTGDR2KMT2ASLC6A2SLC6A4
SCHEMBL5848481 1.00 STING1 (0.45) STING1PTGDR2KMT2ASLC6A2SLC6A4
SCHEMBL5848110 0.88 STING1 (0.42) STING1PTGDR2KMT2ASLC6A2SLC6A4
SCHEMBL5848113 0.88 STING1 (0.42) STING1PTGDR2KMT2ASLC6A2SLC6A4
SCHEMBL5848117 0.88 STING1 (0.42) STING1PTGDR2KMT2ASLC6A2SLC6A4
SCHEMBL5848241 0.81 SMN1; SMN2 (0.56) PTGDR2TSHRSMN1; SMN2
SCHEMBL5848238 0.81 SMN1; SMN2 (0.56) PTGDR2TSHRSMN1; SMN2
SCHEMBL5848245 0.81 SMN1; SMN2 (0.56) PTGDR2TSHRSMN1; SMN2
SCHEMBL11001307 0.77 TRPV1 (0.44) PTGDR2
SCHEMBL5847275 0.73 OPRK1 (0.70)

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 4509/4885PTGDR2 1500/4885KMT2A 2410/4885

“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.