Sugi Predict

Sugi Predict / Compounds / SCHEMBL8192167

SCHEMBL8192167

SCHEMBL8192167

Cc1ccc(-c2ccc(C(F)(F)F)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.55
▸ KDM1A O60341 2/20 0.49
▸ MAOB P27338 1/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ CCR1 P32246 1/20 0.43
▸ CCR5 P51681 1/20 0.43
▸ CCR8 P51685 1/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ ABL1 P00519 1/20 0.43
▸ NTRK1 P04629 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ RET P07949 1/20 0.43
▸ MET P08581 1/20 0.43
▸ PDGFRB P09619 1/20 0.43
▸ PIM1 P11309 1/20 0.43
▸ PDGFRA P16234 1/20 0.43
▸ FLT3 P36888 1/20 0.43

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
SCHEMBL27344645 0.90 KIF11 (0.63) KIF11KDM1AMAOBNPSR1KDM4E
SCHEMBL8192377 0.89 CCR1 (0.54) KIF11KDM1AMAOBCCR1CCR5
SCHEMBL28530523 0.88 KIF11 (0.61) KIF11KDM1AMAOBNPSR1KDM4E
SCHEMBL29690424 0.88 KIF11 (0.61) KIF11KDM1AMAOBNPSR1KDM4E
SCHEMBL31375576 0.87 KDM1A (0.44) KIF11KDM1AMAOBNPSR1KDM4E
SCHEMBL4342508 0.86 KIF11 (0.59) KIF11KDM1AMAOBNPSR1KDM4E
SCHEMBL24689583 0.85 CCR1 (0.64) KIF11NPSR1KDM4ECCR1CCR5
SCHEMBL556994 0.83 KIF11 (0.56) KIF11KDM1AMAOBNPSR1KDM4E
SCHEMBL22079741 0.83 TSHR (0.52) KIF11KDM1AMAOBNPSR1CCR1
SCHEMBL3392514 0.81 KIF11 (0.55) KIF11KDM1AMAOBNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390575-B2 Isomerisation reaction FIRMENICH SA (CH) 2022-07-19 — — US disclosed
US-20220041536-A1 ISOMERISATION REACTION FIRMENICH SA (CH) 2022-02-10 — — US disclosed
EP-3837235-A1 ISOMERISATION REACTION Firmenich SA (CH) 2021-06-23 — — EP disclosed
CN-112805266-A Isomerization reaction 弗门尼舍有限公司 2021-05-14 — — CN disclosed
WO-2020187877-A1 ISOMERISATION REACTION FIRMENICH SA (CH) 2020-09-24 — — WO disclosed
EP-2997029-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2019-01-09 — — EP disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 — — US disclosed
WO-2017139689-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 — — WO disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-8519145-B2 Aryl compounds as PPAR ligands and their use SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2013-08-27 — — US disclosed
US-20120271055-A1 ARYL COMPOUNDS AS PPAR LIGANDS AND THEIR USE SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2012-10-25 — — US disclosed
US-7723522-B2 Pyridine derivative production method FUJIFILM FINECHEMICALS CO., LTD (JP) 2010-05-25 — — US disclosed
US-7723522-B2 Pyridine derivative production method FUJIFILM FINECHEMICALS CO., LTD (JP) 2010-05-25 — — US disclosed
EP-1559711-B1 PREPARATION OF PYRIDINE DERIVATIVES USING PYRIMIDINIUM DERIVATIVES AS INTERMEDIATES FUJIFILM FINECHEMICALS CO LTD (JP) 2008-06-25 — — EP disclosed
WO-2008066356-A1 ARYL COMPOUNDS AS PPAR LIGANDS AND THEIR USE SEOUL NATIONAL UNIVERSITY INDUSTRY FOUNDATION (KR) 2008-06-05 — — WO disclosed
US-7361414-B2 Light emitting device and display apparatus using same CANON KABUSHIKI KAISHA (JP) 2008-04-22 — — 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 (6 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-20170233414-A1 DERIVATIVES OF BODIPY NPC1L1, NPC1, ABCB4 KIF11 1840/4885KDM1A 4684/4885MAOB 1280/4885
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KIF11 2648/4885KDM1A 891/4885MAOB 904/4885
US-20120271055-A1 ARYL COMPOUNDS AS PPAR LIGANDS AND THEIR USE PPARG, PPARA, PPARD KIF11 3581/4885KDM1A 1635/4885MAOB 1171/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KIF11 2662/4885KDM1A 859/4885MAOB 985/4885
US-11390575-B2 Isomerisation reaction CYP3A4, CYP4A11, UGT1A10 KIF11 1966/4885KDM1A 4623/4885MAOB 491/4885
US-20220041536-A1 ISOMERISATION REACTION CYP3A4, CYP4A11, UGT1A10 KIF11 1966/4885KDM1A 4623/4885MAOB 491/4885

“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.