SCHEMBL18214616

SCHEMBL18214616

CCCCCCCCCCCCCCCCNCCCNCCC(=O)NCCCNC(=O)CCNCCCN

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.61
SLC6A5 Q9Y345 2/20 0.60
NAAA Q02083 1/20 0.57
PAOX Q6QHF9 1/20 0.53
EPHX1 P07099 5/20 0.52
RELA Q04206 4/20 0.51
FAAH O00519 1/20 0.50

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
SCHEMBL12951398 0.94 SLC6A5 (0.68) CASP2SLC6A5NAAAPAOXRELA
SCHEMBL27591402 0.94 SLC6A5 (0.68) CASP2SLC6A5NAAAPAOXRELA
SCHEMBL27856043 0.94 SLC6A5 (0.68) CASP2SLC6A5NAAAPAOXRELA
SCHEMBL18721508 0.94 SLC6A5 (0.68) CASP2SLC6A5NAAAPAOXRELA
SCHEMBL12085671 0.94 SLC6A5 (0.68) CASP2SLC6A5NAAAPAOXRELA
SCHEMBL18721509 0.94 SLC6A5 (0.68) CASP2SLC6A5NAAAPAOXRELA
SCHEMBL194526 0.94 SLC6A5 (0.68) CASP2SLC6A5NAAAPAOXRELA
SCHEMBL194531 0.94 SLC6A5 (0.68) CASP2SLC6A5NAAAPAOXRELA
SCHEMBL15065767 0.92 SLC6A5 (0.70) CASP2SLC6A5NAAAPAOXFAAH
SCHEMBL15065083 0.92 SLC6A5 (0.70) CASP2SLC6A5NAAAPAOXFAAH

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-20170119643-A1 DETOXIFICATION OF MICROBIAL VIRULENCE FACTORS IN ORAL CAVITY THE PROCTER & GAMBLE COMPANY 2017-05-04 US disclosed
US-20170119643-A1 DETOXIFICATION OF MICROBIAL VIRULENCE FACTORS IN ORAL CAVITY THE PROCTER & GAMBLE COMPANY 2017-05-04 US disclosed
WO-2016179561-A1 DETOXIFICATION OF MICROBIAL VIRULENCE FACTORS IN ORAL CAVITY THE PROCTER & GAMBLE COMPANY (US) 2016-11-10 WO 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-20170119643-A1 DETOXIFICATION OF MICROBIAL VIRULENCE FACTORS IN ORAL CAVITY GSTM2, GSTA2, GSTA1 CASP2 2644/4885SLC6A5 2044/4885NAAA 853/4885

“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.