SCHEMBL4565411

SCHEMBL4565411

CCCC(=O)NCC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CTSD P07339 1/20 0.44
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
CNR1 P21554 4/20 0.41
CNR2 P34972 4/20 0.41
HPGD P15428 1/20 0.41
FAAH O00519 1/20 0.39
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
Hydrochloric Acid SCHEMBL5707324 0.98 CASP2 (0.45) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL14842883 0.87 FAAH (0.50) CASP2CNR1CNR2HPGDFAAH
SCHEMBL20606606 0.85 LMNA (0.40) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL15247218 0.85 FAAH (0.59) CNR1CNR2FAAH
SCHEMBL20883259 0.84 FAAH (0.62) CNR1CNR2FAAH
SCHEMBL14877628 0.81 HDAC3 (0.50) CASP2HDAC3HDAC1HDAC2HDAC8
SCHEMBL841327 0.81 MEN1 (0.48) LMNAPOLBHPGDALDH1A1KDM4E
SCHEMBL2035994 0.81 KDM4E (0.39) LMNAPOLBCNR1CNR2HPGD
SCHEMBL30181819 0.80 CNR1 (0.39) LMNAPOLBCNR1CNR2HPGD
SCHEMBL13407576 0.80 CNR1 (0.39) LMNAPOLBCNR1CNR2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4366829-A1 PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF Dice Alpha, Inc. (US) 2024-05-15 EP disclosed
US-20230165253-A1 CROP ENHANCEMENT SYNGENTA CROP PROTECTION AG (CH) 2023-06-01 US disclosed
WO-2023283453-A1 PHENYL ACETAMIDE BASED IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2023-01-12 WO disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
CN-106432311-A Processes and intermediates for producing azaindoles 沃泰克斯药物股份有限公司 2017-02-22 CN disclosed
CN-106336413-A Compounds used as JAK inhibitor, and use of compounds 广东东阳光药业有限公司 2017-01-18 CN disclosed
US-9266882-B2 Imidazo[1,2-a]pyridine derivatives: preparation and pharmaceutical applications MEI PHARMA, INC. (US) 2016-02-23 US disclosed
US-20150038703-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HELSINN HEALTHCARE SA (CH) 2015-02-05 US disclosed
US-8889710-B2 Parasiticidal dihydroisoxazole compounds ELI LILLY AND COMPANY (US) 2014-11-18 US disclosed
EP-2785381-A1 FLUORINE-18 AND CARBON-11 LABELED RADIOLIGANDS FOR POSITRON EMISSION TOMOGRAPHY (PET) IMAGING FOR LRRK2 F.HOFFMANN-LA ROCHE AG (CH) 2014-10-08 EP disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-7754746-B2 Organic compounds NOVARTIS AG (CH) 2010-07-13 US disclosed
US-20090234132-A1 5-PHENYL-THIAZOL-2-YL-UREA DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20090234132-A1 5-PHENYL-THIAZOL-2-YL-UREA DERIVATIVES AND USE AS PI3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-09-17 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma NOVARTIS AG 2008-12-25 US disclosed
WO-2007084557-A2 AZAINDOLES USEFUL AS INHIBITORS OF JANUS KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-07-26 WO disclosed
WO-2007068473-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-06-21 WO disclosed
WO-2007062342-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 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 (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-20090234132-A1 5-PHENYL-THIAZOL-2-YL-UREA DERIVATIVES AND USE AS PI3 KINASE INHIBITORS CNKSR1, CDK8, MAPK8 CASP2 2109/4885HDAC3 238/4885HDAC1 505/4885
US-20230165253-A1 CROP ENHANCEMENT CBR3, POF1B, MYB CASP2 3109/4885HDAC3 862/4885HDAC1 2349/4885
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS JAK1, JAK2, JAK3 CASP2 1707/4885HDAC3 1881/4885HDAC1 1487/4885
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 CASP2 1648/4885HDAC3 119/4885HDAC1 615/4885
US-20080319033-A1 3-{3-[5-(4-acetylphenyl)-4-methylthiazol-2-yl]-ureido}-N-tert-butylpropionamide, exhibiting phosphatidylinositol 3-kinase inhibitory activity and used for treating respiratory system disorders, such as asthma AKT3, PIK3R3, PIK3CD CASP2 3029/4885HDAC3 404/4885HDAC1 548/4885
US-20150038703-A1 IMIDAZO[1,2-a]PYRIDINE DERIVATIVES: PREPARATION AND PHARMACEUTICAL APPLICATIONS HDAC1, HDAC2, HDAC5 CASP2 1740/4885HDAC3 5/4885HDAC1 1/4885

“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.