SCHEMBL16624319

SCHEMBL16624319

Cc1cc(CO)ccc1Cc1c(C)nc(N)nc1C

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.41
TLR7 Q9NYK1 11/20 0.40
TLR8 Q9NR97 3/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL16624323 0.92 TLR7 (0.39) DHFRTLR7TLR8NPSR1
SCHEMBL16624325 0.86 NPSR1 (0.40) DHFRTLR7TLR8NPSR1
SCHEMBL10310939 0.84 TLR7 (0.44) TLR7NPSR1
SCHEMBL16624329 0.78 NPSR1 (0.40) DHFRTLR7TLR8NPSR1
SCHEMBL2850669 0.77 NPSR1 (0.51) TLR7NPSR1
SCHEMBL6122292 0.76 TLR7 (0.52) TLR7TLR8
SCHEMBL18052639 0.76 TLR7 (0.37) TLR7TLR8NPSR1
SCHEMBL2849074 0.75 NPSR1 (0.58) TLR7TLR8NPSR1
SCHEMBL16624362 0.75 HSP90AB1 (0.41) DHFR
SCHEMBL16624324 0.74 SMN1; SMN2 (0.46) DHFRNPSR1

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 DHFR 1267/4885TLR7 87/4885TLR8 665/4885
US-20160251319-A1 CARBOXYLIC ACID COMPOUNDS C9, SUCNR1, C3AR1 DHFR 1267/4885TLR7 87/4885TLR8 665/4885

“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.