SCHEMBL20008686

SCHEMBL20008686

CC(C)(C)Cc1cc(OC(=O)c2ccc(C(=N)N)cc2)ccc1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS15 P98073 13/20 0.47
PRSS1 P07477 11/20 0.47
KLK1 P06870 4/20 0.43
TMPRSS2 O15393 2/20 0.43
F2 P00734 2/20 0.43
MLNR O43193 1/20 0.43
ALDH1A1 P00352 1/20 0.43
C1R P00736 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 1/20 0.43
F12 P00748 1/20 0.43
LMNA P02545 1/20 0.43
ITGB3 P05106 1/20 0.43
HPN P05981 1/20 0.43
CHRM2 P08172 1/20 0.43
ITGA2B P08514 1/20 0.43
C1S P09871 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
MAPT P10636 1/20 0.43
CHRM1 P11229 1/20 0.43

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
SCHEMBL20008670 0.88 PRSS1 (0.44) TMPRSS15PRSS1KLK1TMPRSS2F12
SCHEMBL20008685 0.88 TMPRSS15 (0.41) TMPRSS15PRSS1KLK1TMPRSS2F2
SCHEMBL20008690 0.82 PRSS1 (0.51) TMPRSS15PRSS1KLK1TMPRSS2F2
SCHEMBL20008683 0.79 PRSS1 (0.45) TMPRSS15PRSS1KLK1TMPRSS2F2
SCHEMBL20008697 0.77 PRSS1 (0.52) TMPRSS15PRSS1KLK1TMPRSS2F2
SCHEMBL18720209 0.77 PRSS1 (0.52) TMPRSS15PRSS1KLK1TMPRSS2F2
SCHEMBL20008677 0.77 KMT2A (0.39) TMPRSS15PRSS1KLK1TMPRSS2F2
SCHEMBL18720221 0.75 F12 (0.60) PRSS1KLK1TMPRSS2F2MLNR
SCHEMBL18720218 0.74 F2 (0.51) TMPRSS15PRSS1KLK1F2F10
SCHEMBL20008665 0.73 PRSS1 (0.47) TMPRSS15PRSS1KLK1TMPRSS2F2

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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2018-03-29 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-20180085366-A1 OPIOID COMPOSITIONS RESISTANT TO OVERDOSE AND ABUSE OPRM1, OPRK1, OPRD1 TMPRSS15 87/4885PRSS1 952/4885KLK1 3383/4885

“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.