SCHEMBL19320899

SCHEMBL19320899

COCc1ccccc1-n1nc2c(c1C(=O)O)Cc1ccccc1-2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.37
GSR P00390 1/20 0.37
KCNN4 O15554 1/20 0.36
SRD5A2 P31213 1/20 0.33
FABP3 P05413 2/20 0.32
FABP4 P15090 2/20 0.32
FABP5 Q01469 1/20 0.32
JAK2 O60674 1/20 0.32
JAK3 P52333 1/20 0.32
PTK2 Q05397 1/20 0.32
PRMT5 O14744 1/20 0.32
SQOR Q9Y6N5 1/20 0.32
CYP11B2 P19099 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL19326207 0.89 PTGER1 (0.37) PTGER1GSRSRD5A2
SCHEMBL14804863 0.73 GSR (0.47) PTGER1GSRSRD5A2HCAR2
SCHEMBL19320896 0.72 CACNA1G (0.42)
SCHEMBL19320900 0.71 HCAR2 (0.39) PRMT5HCAR2
SCHEMBL19320827 0.71 CYP3A4 (0.32)
SCHEMBL19320901 0.70 TP53 (0.39)
SCHEMBL19320897 0.69 CACNA1G (0.37) PRMT5
SCHEMBL19320883 0.66 GSR (0.38) GSRSRD5A2CYP11B2
SCHEMBL456019 0.66 PNMT (0.62)
SCHEMBL19321476 0.65 CACNA1G (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 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-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR CPN1, HAT1, PRSS1 PTGER1 2033/4885GSR 3048/4885KCNN4 3633/4885

“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.