SCHEMBL20008691

SCHEMBL20008691

CC(C)(C)Cc1cc(C(N)N)ccc1C(=O)Oc1ccc(CC(=O)O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 3/20 0.40
KLK1 P06870 2/20 0.40
TMPRSS2 O15393 1/20 0.40
TMPRSS15 P98073 4/20 0.39
F2 P00734 1/20 0.37
RXRA P19793 2/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
PTGS1 P23219 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SRD5A2 P31213 1/20 0.34
NPC1 O15118 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
SENP8 Q96LD8 1/20 0.34

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
SCHEMBL20008672 0.79 KDM4E (0.40) PRSS1KLK1TMPRSS2TMPRSS15CASP3
SCHEMBL20008682 0.78 PRSS1 (0.47) PRSS1KLK1TMPRSS2TMPRSS15RXRA
SCHEMBL20008693 0.70 PRSS1 (0.42) PRSS1KLK1TMPRSS2TMPRSS15F2
SCHEMBL20008675 0.68 PRSS1 (0.36) PRSS1KLK1TMPRSS2TMPRSS15F2
SCHEMBL20008667 0.68 PRSS1 (0.47) PRSS1KLK1TMPRSS2TMPRSS15NR1H4
SCHEMBL384743 0.66 GAA (0.57) PRSS1KLK1TMPRSS2PTGS1AKR1C3
SCHEMBL4295820 0.65 KLK1 (0.47) PRSS1KLK1TMPRSS2PTGS1AKR1C3
SCHEMBL9244144 0.65 ESR1 (0.56) RXRARXRBRXRGPTGS1MAPT
SCHEMBL482856 0.64 PPARA (0.51) RXRARXRBRXRGPTGS1AKR1C3
SCHEMBL11489461 0.64 GAA (0.55) PRSS1KLK1TMPRSS2PTGS1AKR1C3

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 PRSS1 952/4885KLK1 3383/4885TMPRSS2 588/4885

“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.