SCHEMBL16624353

SCHEMBL16624353

Cc1cc(C)c(S(=O)(=O)Oc2nc(N)nc(C)c2Cc2ccc(OCCCN3CCC[C@@H]3C(=O)OC(C)(C)C)cc2C)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 3/20 0.44
HRH3 Q9Y5N1 5/20 0.33
LTA4H P09960 2/20 0.33
NR1I2 O75469 1/20 0.32
AVPR2 P30518 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
AXL P30530 2/20 0.31
HRH2 P25021 1/20 0.31
HRH1 P35367 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
BACE1 P56817 1/20 0.31
CASP3 P42574 1/20 0.30
HTR3A P46098 1/20 0.30

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
SCHEMBL16616947 0.94 TLR7 (0.52) TLR7HRH3LTA4H
SCHEMBL16616948 0.94 TLR7 (0.52) TLR7HRH3LTA4H
SCHEMBL16617042 0.82 TLR7 (0.49) TLR7
SCHEMBL16617043 0.82 TLR7 (0.49) TLR7
SCHEMBL16624356 0.79 TLR7 (0.37) TLR7
SCHEMBL15393452 0.79 TLR7 (0.48) TLR7HRH3
SCHEMBL16624359 0.78 DHFR (0.34) TLR7
SCHEMBL16624360 0.77 TLR7 (0.73) TLR7
SCHEMBL16624357 0.77 DHFR (0.33) TLR7
SCHEMBL15391165 0.72 TLR7 (0.59) TLR7

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-20160251319-A1 CARBOXYLIC ACID COMPOUNDS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2016-09-01 US disclosed
US-9376398-B2 Carboxylic acid compounds SUMITOMO DAINIPPON PHARMA CO., LTD (JP) 2016-06-28 US disclosed
US-20150099770-A1 CARBOXYLIC ACID COMPOUNDS Sumitomo Pharma Co., Ltd. (JP) 2015-04-09 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-20150099770-A1 CARBOXYLIC ACID COMPOUNDS C9, SUCNR1, C3AR1 TLR7 87/4885HRH3 19/4885LTA4H 597/4885
US-20160251319-A1 CARBOXYLIC ACID COMPOUNDS C9, SUCNR1, C3AR1 TLR7 87/4885HRH3 19/4885LTA4H 597/4885

“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.