SCHEMBL20008672

SCHEMBL20008672

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
PRSS1 P07477 6/20 0.40
NR1H4 Q96RI1 5/20 0.40
KLK1 P06870 2/20 0.40
TMPRSS2 O15393 1/20 0.39
TMPRSS15 P98073 6/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL20008675 0.89 PRSS1 (0.36) KDM4EPRSS1KLK1TMPRSS2TMPRSS15
SCHEMBL20008660 0.84 F2 (0.49) POLBPRSS1KLK1TMPRSS2PRSS2
SCHEMBL20008652 0.81 F12 (0.46) PRSS1KLK1TMPRSS2PRSS2PRSS3
SCHEMBL20008667 0.80 PRSS1 (0.47) PRSS1NR1H4KLK1TMPRSS2TMPRSS15
SCHEMBL20008691 0.79 PRSS1 (0.40) KDM4EPOLBPRSS1NR1H4KLK1
SCHEMBL4752930 0.77 PRSS1 (0.61) KDM4EPOLBPRSS1NR1H4KLK1
SCHEMBL20008669 0.76 NR1H4 (0.45) KDM4EPRSS1NR1H4KLK1TMPRSS2
SCHEMBL20008670 0.76 PRSS1 (0.44) PRSS1NR1H4KLK1TMPRSS2TMPRSS15
SCHEMBL18720203 0.74 KMT2A (0.48) PRSS1KLK1TMPRSS2PRSS2PRSS3
SCHEMBL20008699 0.74 KMT2A (0.48) PRSS1KLK1TMPRSS2PRSS2PRSS3

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 KDM4E 1535/4885POLB 1269/4885PRSS1 952/4885

“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.