SCHEMBL16839930

SCHEMBL16839930

CCOC(=O)CC(=O)N(Cc1ccc(-c2ccc(CF)cc2)cc1)C1(CC(=O)OC)CCOCC1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 1/20 0.33
▸ PPID Q08752 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ CTSC P53634 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LTB4R Q15722 1/20 0.32
▸ LTB4R2 Q9NPC1 1/20 0.32
▸ GAA P10253 1/20 0.30
▸ CETP P11597 1/20 0.30
▸ ITGB1 P05556 1/20 0.30
▸ ITGA4 P13612 1/20 0.30
▸ ITGB7 P26010 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL16762036 0.86 CCR2 (0.37) PPIDPOLBNPSR1CETPALDH1A1
SCHEMBL16839110 0.85 CCR2 (0.36) PPIDPOLBNPSR1CETPALDH1A1
SCHEMBL16761886 0.74 TSHR (0.41) ALDH1A1
SCHEMBL16268713 0.74 GAA (0.39) LIPEPOLBCYP2C9CYP2C19NPSR1
SCHEMBL16839701 0.72 ANO1 (0.36) LIPEPPIDCTSCKCNH2LTB4R
SCHEMBL16761887 0.70 HRH3 (0.34) KCNH2ITGB1ITGA4ITGB7
SCHEMBL22911797 0.67 LMNA (0.43) POLBALDH1A1
SCHEMBL16276956 0.65 GAA (0.37) POLBNPSR1GAAALDH1A1
SCHEMBL16839693 0.62 CTSC (0.42) CTSCITGB1ITGA4ITGB7ALDH1A1
SCHEMBL16096915 0.61 NPC1 (0.46) POLBNPSR1ALDH1A1

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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO., LTD (JP) 2015-06-25 — — 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-20150175541-A1 PARTIALLY SATURATED NITROGEN-CONTAINING HETEROCYCLIC COMPOUND EGLN2, EGLN3, EGLN1 LIPE 4454/4885PPID 2142/4885POLB 3574/4885

“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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