SCHEMBL16870591

SCHEMBL16870591

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC(=O)NCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A5 Q9Y345 1/20 0.59
▸ EPHX2 P34913 1/20 0.52
▸ ITGB2 P05107 3/20 0.47
▸ ICAM1 P05362 3/20 0.47
▸ ITGAL P20701 3/20 0.47
▸ CYP3A4 P08684 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ SLC15A2 Q16348 1/20 0.43
▸ CA1 P00915 3/20 0.42
▸ CA2 P00918 3/20 0.42
▸ FAAH O00519 2/20 0.42
▸ CNR1 P21554 2/20 0.42
▸ CNR2 P34972 2/20 0.42
▸ HRH4 Q9H3N8 1/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ F2 P00734 2/20 0.39
▸ PRSS1 P07477 2/20 0.39
▸ PRSS2 P07478 2/20 0.39

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
SCHEMBL16273559 0.93 SLC6A5 (0.57) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL16273558 0.89 SLC6A5 (0.69) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL17640671 0.85 SLC6A5 (0.48) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL26624821 0.82 SLC6A5 (0.64) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL3057446 0.82 EPHX2 (0.60) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL29615190 0.82 EPHX2 (0.60) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL27675779 0.82 EPHX2 (0.60) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL17636914 0.82 SLC6A5 (0.59) SLC6A5EPHX2FAAHCNR1CNR2
SCHEMBL16070708 0.81 SLC6A5 (0.77) SLC6A5EPHX2ITGB2ICAM1ITGAL
SCHEMBL29713992 0.81 SLC6A5 (0.77) SLC6A5EPHX2ITGB2ICAM1ITGAL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174931-B2 Compositions for the treatment of diabetes and pre-diabetes CELLIX BIO PRIVATE LIMITED (IN) 2015-11-03 — — US disclosed
US-20150183728-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DIABETES AND PRE-DIABETES CELLIX BIO PRIVATE LIMITED (IN) 2015-07-02 — — 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-20150183728-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF DIABETES AND PRE-DIABETES SLC5A1, GPR119, INSR SLC6A5 63/4885EPHX2 3867/4885ITGB2 3773/4885

“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.

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