SCHEMBL1035477

SCHEMBL1035477

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)Nc2cccc3ccc(-c4cccc(OC(F)(F)F)c4)nc23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 1/20 0.40
▸ PIM1 P11309 2/20 0.40
▸ SCN9A Q15858 2/20 0.39
▸ IRAK4 Q9NWZ3 1/20 0.38
▸ P2RX7 Q99572 1/20 0.37
▸ CSNK1D P48730 1/20 0.37
▸ CSNK1E P49674 1/20 0.37
▸ PKLR P30613 1/20 0.37
▸ SLC6A7 Q99884 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP3 P08254 1/20 0.36
▸ ABHD6 Q9BV23 2/20 0.36
▸ PTGES2 Q9H7Z7 1/20 0.36
▸ DAGLA Q9Y4D2 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ GHSR Q92847 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL1035231 0.87 SLC40A1 (0.44) SLC40A1PIM1SCN9AIRAK4PKLR
SCHEMBL27830716 0.87 SLC40A1 (0.40) SLC40A1PIM1SCN9AIRAK4PKLR
SCHEMBL1031607 0.85 SLC40A1 (0.47) SLC40A1PIM1SCN9AIRAK4MMP2
SCHEMBL1034663 0.83 SLC40A1 (0.45) SLC40A1PIM1IRAK4PTGES2FYN
Tert-Butyl Formate SCHEMBL27830718 0.82 SLC40A1 (0.40) SLC40A1PIM1IRAK4MMP2MMP3
SCHEMBL27830723 0.80 SLC40A1 (0.37) SLC40A1PIM1SCN9AIRAK4PKLR
SCHEMBL17772304 0.73 KDM4E (0.37) SLC40A1PIM1KDM4EHPGD
SCHEMBL1034552 0.70 PARP1 (0.48) IRAK4MAPTSMN1; SMN2FYN
SCHEMBL1029916 0.70 HDAC1 (0.52) IRAK4
SCHEMBL1034423 0.70 GPR119 (0.46) GPR119KDM4EMAPTHPGDNPSR1

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
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 — — EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 — — EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 — — 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 SLC40A1 2835/4885PIM1 4218/4885SCN9A 3526/4885

“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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