SCHEMBL19475133

SCHEMBL19475133

C#CCNC(=O)[C@@H](CCCCC[C@H](O)CCCCCC)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
GPR84 Q9NQS5 8/20 0.38
PTPN1 P18031 1/20 0.34
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
NFKB1 P19838 1/20 0.33

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
SCHEMBL20996801 1.00 FAAH (0.40) FAAHFFAR1FFAR4GPR84PTPN1
SCHEMBL19475048 0.89 CNR2 (0.34) FAAHFFAR1FFAR4
SCHEMBL20996802 0.89 CNR2 (0.34) FAAHFFAR1FFAR4
SCHEMBL19474994 0.84 EPHX2 (0.31) FAAHFFAR1FFAR4
SCHEMBL20996805 0.84 EPHX2 (0.31) FAAHFFAR1FFAR4
SCHEMBL19475644 0.82 FFAR1 (0.47) FAAHFFAR1FFAR4GPR84ACACB
SCHEMBL19475641 0.82 FFAR1 (0.47) FAAHFFAR1FFAR4GPR84ACACB
SCHEMBL10420255 0.80 FFAR1 (0.47) FAAHFFAR1FFAR4GPR84ACACB
SCHEMBL9842167 0.77 GPR84 (0.44) FFAR1GPR84
SCHEMBL19506118 0.77 FFAR1 (0.41) FAAHFFAR1FFAR4GPR84ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647671-B2 Promysalin analogues and methods of use thereof Temple University—Of the Commonwealth System of Higher Education (US) 2020-05-12 US disclosed
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-30 US disclosed
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 WO disclosed
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 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 (2 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-10647671-B2 Promysalin analogues and methods of use thereof CCL11, MAN2A1, PREP FAAH 981/4885FFAR1 3682/4885FFAR4 3685/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 FAAH 1130/4885FFAR1 3988/4885FFAR4 3997/4885

“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.