Sugi Predict

Sugi Predict / Compounds / SCHEMBL403609

SCHEMBL403609

SCHEMBL403609

O=C(Cl)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.51
▸ KLRK1 P26718 6/20 0.49
▸ MICA Q29983 6/20 0.49
▸ RAET1L Q5VY80 5/20 0.49
▸ CYP2C8 P10632 1/20 0.49
▸ RORC P51449 1/20 0.48
▸ RORB Q92753 1/20 0.48
▸ KIF11 P52732 1/20 0.47
▸ BACE1 P56817 1/20 0.47
▸ TACR1 P25103 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ APOB P04114 1/20 0.44
▸ MTTP P55157 1/20 0.44
▸ MAOB P27338 1/20 0.43
▸ ADAMTS7 Q9UKP4 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ CRHBP P24387 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ CRHR2 Q13324 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
SCHEMBL5391989 0.85 RORB (0.54) RORCRORBTACR1ALDH1A1ALOX15
Xenalipin SCHEMBL133087 0.84 CYP2C8 (0.58) GAAKLRK1MICARAET1LCYP2C8
Xenalipin SCHEMBL29881739 0.84 CYP2C8 (0.58) GAAKLRK1MICARAET1LCYP2C8
SCHEMBL2564888 0.83 BCAT2 (0.65) GAAKLRK1MICARAET1LCYP2C8
Xenalipin SCHEMBL3723586 0.83 CYP2C8 (0.56) GAAKLRK1MICARAET1LCYP2C8
SCHEMBL27799155 0.83 RORB (0.51) RORBKIF11TACR1ALDH1A1ALOX15
SCHEMBL171542 0.83 TRPV1 (0.54) GAAKLRK1MICARAET1LCYP2C8
SCHEMBL7067815 0.82 RORB (0.70) RORCRORBKIF11TACR1ALDH1A1
SCHEMBL27906241 0.81 BCAT2 (0.62) GAAKLRK1MICARAET1LCYP2C8
SCHEMBL7605043 0.80 SLC6A3 (0.62) ALDH1A1ALOX15

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 170 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11060557-A — — None — — JP disclosed
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2016-03-24 — — US disclosed
US-9227935-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICAL N.V. (BE) 2016-01-05 — — US disclosed
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-03-26 — — US disclosed
US-8946228-B2 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2015-02-03 — — US disclosed
EP-2155198-B1 Piperidine/piperazine derivatives JANSSEN PHARMACEUTICA NV (BE) 2014-08-13 — — EP disclosed
US-8354402-B2 Polyarylcarboxamides useful as lipid lowering agents JANSSEN PHARMACEUTICA N.V. (BE) 2013-01-15 — — US disclosed
US-8258304-B2 N-aryl piperidine substituted biphenylcarboxamides JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-04 — — US disclosed
US-8101774-B2 Ester derivatives and medicinal use thereof JAPAN TOBACCO INC. (JP) 2012-01-24 — — US disclosed
US-20110269747-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS MEERPOEL LIEVEN 2011-11-03 — — US disclosed
WO-1997041111-A1 PROCESSES AND INTERMEDIATES FOR PREPARING 4'-TRIFLUOROMETHYLBIPHENYL-2-CARBOXYLIC ACID [2-(2H-[1,2,4]TRIAZOL-3-YLMETHYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-YL]-AMIDE PFIZER INC. (US) 1997-11-06 — — WO disclosed
US-5612334-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1997-03-18 — — US disclosed
US-5610156-A USED IN TREATING DISEASES CHARACTERIZED BY EXCESS RENAL REABSORPTION OF WATER AMERICAN CYANAMID COMPANY (US) 1997-03-11 — — US disclosed
WO-1996040640-A1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER INC. (US) 1996-12-19 — — WO disclosed
EP-0732332-A1 Substituted benzothienylpiperazines, their use as medicaments, and processes for their preparation HOECHST MARION ROUSSEL, INC. (US) 1996-09-18 — — EP disclosed
WO-1996022293-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 — — WO disclosed
WO-1996022282-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 — — WO disclosed
WO-1996022295-A1 TRICYCLIC BENZAZEPINE VASOPRESSIN ANTAGONISTS AMERICAN CYANAMID COMPANY (US) 1996-07-25 — — WO disclosed
US-5536718-A Tricyclic benzazepine vasopressin antagonists AMERICAN CYANAMID COMPANY (US) 1996-07-16 — — US disclosed
US-5532235-A TO TREAT EXCESS RENAL REABSORPTION AMERICAN CYANAMID COMPANY (US) 1996-07-02 — — 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 (3 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-20110269747-A1 POLYARYLCARBOXAMIDES USEFUL AS LIPID LOWERING AGENTS LIPC, PNLIP, APOB GAA 476/4885KLRK1 4786/4885MICA 4831/4885
US-20150087629-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, NAT1, SOAT1 GAA 3165/4885KLRK1 3485/4885MICA 3590/4885
US-20160081997-A1 PIPERIDINE/PIPERAZINE DERIVATIVES DGAT1, DGAT2, SOAT1 GAA 3263/4885KLRK1 3301/4885MICA 3704/4885

“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.