SCHEMBL1034663

SCHEMBL1034663

O=S(=O)(Nc1cccc2ccc(-c3cccc(OC(F)(F)F)c3)nc12)N1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 2/20 0.45
▸ XDH P47989 1/20 0.39
▸ PTGES2 Q9H7Z7 1/20 0.38
▸ PIM1 P11309 3/20 0.38
▸ TYRO3 Q06418 1/20 0.38
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CHRM3 P20309 1/20 0.37
▸ DYRK1A Q13627 4/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ ACP1 P24666 1/20 0.36
▸ FYN P06241 1/20 0.35
▸ PLAT P00750 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ PIM2 Q9P1W9 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
Tert-Butyl Formate SCHEMBL27830718 0.93 SLC40A1 (0.40) SLC40A1XDHPTGES2PIM1TYRO3
SCHEMBL1031607 0.92 SLC40A1 (0.47) SLC40A1XDHPTGES2PIM1CCNT1
SCHEMBL17772304 0.90 KDM4E (0.37) SLC40A1PIM1PIM2
SCHEMBL1035231 0.88 SLC40A1 (0.44) SLC40A1XDHPTGES2PIM1CCNT1
SCHEMBL27830716 0.83 SLC40A1 (0.40) SLC40A1PTGES2PIM1TYRO3CCNT1
SCHEMBL1035477 0.83 SLC40A1 (0.40) SLC40A1PTGES2PIM1IRAK4FYN
SCHEMBL17772310 0.82 FABP1 (0.39) CHRM3PIM2
SCHEMBL27830723 0.77 SLC40A1 (0.37) SLC40A1PTGES2PIM1TYRO3CCNT1
SCHEMBL1034313 0.74 SLC40A1 (0.49) SLC40A1PTGES2DYRK1A
SCHEMBL1074809 0.73 SLC40A1 (0.48) SLC40A1XDHPTGES2DYRK1A

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 9 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
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 — — EP disclosed
CN-102083438-A Quenolines and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-01 — — CN disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 — — US 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
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 2835/4885XDH 895/4885PTGES2 1686/4885

“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.

Send feedback