SCHEMBL2856789

SCHEMBL2856789

NC(=O)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CASP1 P29466 1/20 0.51
CES2 O00748 2/20 0.50
KMT2A Q03164 2/20 0.49
MRGPRX4 Q96LA9 1/20 0.47
CFTR P13569 1/20 0.46
PDE2A O00408 2/20 0.46
PDK2 Q15119 1/20 0.45
SORT1 Q99523 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
AVPR2 P30518 1/20 0.44
GPR27 Q9NS67 1/20 0.44
MAPT P10636 1/20 0.44
JAK2 O60674 2/20 0.43
JAK1 P23458 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
SCHEMBL29753880 1.00 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL629096 0.85 CASP1 (0.55) ALDH1A1KDM4EHPGDHSD17B10CASP1
Hydrochloric Acid SCHEMBL4373946 0.84 CASP1 (0.54) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL1455625 0.83 CES2 (0.52) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL1818435 0.83 KDM4E (0.62) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL9202951 0.82 MKNK1 (0.56) KDM4ECASP1PDK2MKNK1MKNK2
SCHEMBL9859789 0.82 NPSR1 (0.46) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL8617573 0.81 KDM4E (0.61) ALDH1A1KDM4EHPGDHSD17B10CASP1
SCHEMBL6495907 0.81 PDE2A (0.50) ALDH1A1KDM4EHPGDHSD17B10CES2
SCHEMBL9636953 0.81 CES2 (0.50) ALDH1A1KDM4EHPGDHSD17B10CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3448850-B1 PIPERIDINYL DERIVATIVES MERCK PATENT GMBH (DE) 2020-11-04 EP claimed
US-10428024-B2 Piperidinyl derivatives MERCK PATENT GMBH (DE) 2019-10-01 US claimed
US-20190135753-A1 PIPERIDINYL DERIVATIVES MERCK PATENT GMBH (DE) 2019-05-09 US claimed
WO-2017186653-A1 PIPERIDINYL DERIVATIVES MERCK PATENT GMBH (DE) 2017-11-02 WO claimed
EP-2804865-B1 HETEROCYCLIC AMIDE DERIVATIVES AS P2X7 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-23 EP claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO claimed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US claimed
CN-118146127-A Preparation method of 2-methylthio-4-trifluoromethyl benzonitrile 北京颖泰嘉和生物科技股份有限公司 2024-06-07 CN disclosed
CN-109071490-B Piperidinyl derivatives 默克专利股份公司 2021-04-06 CN disclosed
EP-3448850-B1 PIPERIDINYL DERIVATIVES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-10428024-B2 Piperidinyl derivatives MERCK PATENT GMBH (DE) 2019-10-01 US disclosed
US-20190135753-A1 PIPERIDINYL DERIVATIVES MERCK PATENT GMBH (DE) 2019-05-09 US disclosed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP disclosed
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES ICAGEN, INC. (US) 2008-03-13 US disclosed
WO-2007130712-A1 SUBSTITUTED DIPIPERIDINE AS CCR2 ANTAGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES JANSSEN PHARMACEUTICA, NV (BE) 2007-11-15 WO disclosed
US-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS JANSSEN PHARMACEUTCA N.V. (BE) 2007-08-23 US disclosed
US-7223782-B2 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2007-05-29 US disclosed
US-20050049237-A1 Pyrazole-amides and -sulfonamides ICAGEN, INC. (US) 2005-03-03 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 (5 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-20070197590-A1 SUBSTITUTED DIPIPERIDINE CCR2 ANTAGONISTS CCR2, CCR1, CCR5 ALDH1A1 905/4885KDM4E 3992/4885HPGD 610/4885
US-10428024-B2 Piperidinyl derivatives PDK1, PDK2, PDK3 ALDH1A1 82/4885KDM4E 1034/4885HPGD 124/4885
US-20190135753-A1 PIPERIDINYL DERIVATIVES PDK1, PDK2, PDK3 ALDH1A1 82/4885KDM4E 1034/4885HPGD 124/4885
US-20080064690-A1 PYRAZOLE-AMIDES AND -SULFONAMIDES SCN3A, TRPV3, HCN3 ALDH1A1 3589/4885KDM4E 2869/4885HPGD 1358/4885
US-20050049237-A1 Pyrazole-amides and -sulfonamides SCN3A, TRPV3, HCN3 ALDH1A1 3589/4885KDM4E 2869/4885HPGD 1358/4885

“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.