SCHEMBL680608

SCHEMBL680608

O=C(c1ccccc1C(F)(F)F)C(O)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
CES2 O00748 4/20 0.52
CES1 P23141 3/20 0.52
GAA P10253 1/20 0.50
MAPK1 P28482 1/20 0.47
ACP3 P15309 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
CTNNB1 P35222 1/20 0.42
WNT3A P56704 1/20 0.42
MRGPRX1 Q96LB2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL545347 0.83 LMNA (0.52) LMNACES2CES1MAPK1KDM4E
SCHEMBL18409717 0.83 CES2 (0.53) LMNACES2CES1GAAACP3
SCHEMBL31025728 0.81 LMNA (0.50) LMNACES2CES1MAPK1KDM4E
SCHEMBL29256271 0.79 LMNA (0.53) LMNAGAAKCNK3KCNK9CTNNB1
SCHEMBL4348607 0.78 CES2 (0.59) LMNACES2CES1MAPK1KDM4E
SCHEMBL650572 0.77 CES2 (0.68) LMNACES2CES1GAAMAPK1
SCHEMBL30013497 0.77 CES2 (0.68) LMNACES2CES1GAAMAPK1
SCHEMBL10137791 0.77 LMNA (0.55) LMNAGAASLC6A2SLC6A4KCNK3
SCHEMBL3396782 0.77 LMNA (0.55) LMNAGAAKCNK3KCNK9CTNNB1
SCHEMBL10428607 0.76 LMNA (0.61) LMNACES2CES1MAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-26 US disclosed
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-19 US disclosed
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2023-01-12 US disclosed
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN-LA ROCHE INC. (US) 2022-05-05 US disclosed
US-10233191-B2 Fused piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-03-19 US disclosed
CN-108290879-A Heteroaryl compound and application thereof as IRAK inhibitor 默克专利有限公司 2018-07-17 CN disclosed
CN-106083563-B A kind of method for synthesizing the fluoro- 4- trifluoromethylbenzoic acids of 2- 沧州普瑞东方科技有限公司 2018-05-25 CN disclosed
WO-2018052903-A1 RORγ MODULATORS THE SCRIPPS RESEARCH INTITUTE (US) 2018-03-22 WO disclosed
CN-107417518-A To trifluoromethylbenzoic acid synthetic method between a kind of neighbour 淄博飞源化工有限公司 2017-12-01 CN disclosed
US-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMA (US) 2017-05-25 US disclosed
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment DECODE GENETICS, INC. (IS) 2007-12-06 US disclosed
US-7288564-B2 Indole derivatives GLAXO GROUP LIMITED (GB) 2007-10-30 US disclosed
US-20060264463-A1 Chemical compounds MEDTECH CONVERGENCE FUND, L.P. 2006-11-23 US disclosed
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment DECODE GENETICS, INC. (IE) 2006-01-26 US disclosed
US-20050272051-A1 Methods of preventing or treating recurrence of myocardial infarction DECODE GENETICS EHF. (IS) 2005-12-08 US disclosed
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines TRIAD THERAPEUTICS, INC. 2005-02-24 US disclosed
US-20050019825-A9 Common ligand mimics: pseudothiohydantoins TRIAD THERAPEUTICS, INC. 2005-01-27 US disclosed
US-5804346-A Electrophotographic photoreceptor MITSUBISHI CHEMICAL CORPORATION (JP) 1998-09-08 US disclosed
US-4990657-A From an aromatic halide without a phase transfer agent RHONE-POULENC CHIMIE (FR) 1991-02-05 US disclosed
EP-0038223-A1 Process for the preparation of trifluoromethylbenzoyl halides OCCIDENTAL CHEMICAL CORPORATION (US) 1981-10-21 EP 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 (11 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-20170145011-A1 Pyrrolopyrazine-Spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ5, KCNJ1 LMNA 3281/4885CES2 2603/4885CES1 3924/4885
US-20230022724-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, O60361, MYD88 LMNA 3644/4885CES2 3273/4885CES1 1005/4885
US-20050019825-A9 Common ligand mimics: pseudothiohydantoins FGFR3, BID, FLT3 LMNA 4841/4885CES2 2784/4885CES1 3397/4885
US-20060264463-A1 Chemical compounds CCR3, CCR1, CCR4 LMNA 3996/4885CES2 674/4885CES1 1114/4885
US-20070280917-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD; methods of treatment ALOX15B, ALOX15, ALOX5 LMNA 2404/4885CES2 1743/4885CES1 305/4885
US-10233191-B2 Fused piperidine amides as modulators of ion channels TRPV1, TRPA1, KCNJ2 LMNA 3728/4885CES2 1515/4885CES1 3113/4885
US-20220135591-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) MGLL, LIPC, PNLIP LMNA 680/4885CES2 53/4885CES1 12/4885
US-20050042674-A9 Common ligand mimics: thiazolidinediones and rhodanines GPR65, NR2E3, FGFR3 LMNA 4805/4885CES2 1932/4885CES1 3322/4885
US-20230013602-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES IL4, RPS4Y1, RPS4X LMNA 4067/4885CES2 3091/4885CES1 2477/4885
US-20060019269-A1 Susceptibility gene for myocardial infarction, stroke, and PAOD, methods of treatment PLAAT3, PLAAT2, PLA2G7 LMNA 1978/4885CES2 806/4885CES1 412/4885
US-20230012368-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES MRPL21, MYD88, IL1R1 LMNA 3614/4885CES2 3560/4885CES1 1072/4885

“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.