SCHEMBL13017143

SCHEMBL13017143

CC(C)Cc1ccc(-c2ccccc2OCC(F)(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.45
▸ FEN1 P39748 1/20 0.45
▸ CYP11B1 P15538 3/20 0.41
▸ CYP11B2 P19099 2/20 0.41
▸ S1PR1 P21453 2/20 0.39
▸ SCN9A Q15858 2/20 0.39
▸ RORC P51449 1/20 0.38
▸ UGCG Q16739 1/20 0.38
▸ ECE1 P42892 1/20 0.37
▸ USP1 O94782 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ CTSS P25774 1/20 0.35
▸ CTSK P43235 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ GPR3 P46089 1/20 0.35
▸ IDO1 P14902 1/20 0.34
▸ FYN P06241 1/20 0.34

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
SCHEMBL13017150 0.87 RORC (0.49) ALOX5APFEN1CYP11B1CYP11B2S1PR1
SCHEMBL15060598 0.85 ALOX5AP (0.44) ALOX5APFEN1CYP11B1CYP11B2SCN9A
SCHEMBL13017148 0.82 CYP3A4 (0.42) ALOX5APFEN1CYP11B1CYP11B2
SCHEMBL13017121 0.82 ALOX5AP (0.47) ALOX5APFEN1S1PR1SCN9AUGCG
SCHEMBL13017155 0.77 CYP11B1 (0.56) ALOX5APFEN1CYP11B1CYP11B2IDO1
SCHEMBL18814933 0.76 S1PR1 (0.41) ALOX5APFEN1CYP11B1CYP11B2S1PR1
SCHEMBL13017062 0.76 L3MBTL1 (0.49) SCN9A
SCHEMBL25636541 0.73 CCR1 (0.41) S1PR1S1PR3
SCHEMBL22229843 0.72 CYP11B1 (0.54) CYP11B1CYP11B2S1PR1S1PR3
SCHEMBL24180148 0.72 SLC6A2 (0.51) ALOX5APFEN1ADRA1DADRA1AADRA1B

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-8471024-B2 Tetrahydrofuropyridones MERCK SHARP & DOHME, CORP. (US) 2013-06-25 — — US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 — — US disclosed
US-20100331358-A1 TETRAHYDROFUROPYRIDONES MERCK SHARP & DOHME LLC 2010-12-30 — — 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-20100331358-A1 TETRAHYDROFUROPYRIDONES HIF1AN, EGLN3, HIF1A ALOX5AP 1075/4885FEN1 4018/4885CYP11B1 217/4885

“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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