SCHEMBL6419619

SCHEMBL6419619

CC(C)(C)NC(=O)c1ccc(F)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
SNCA P37840 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ALOX5AP P20292 1/20 0.48
FEN1 P39748 1/20 0.48
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
GAA P10253 2/20 0.44
HTT P42858 1/20 0.44
HDAC1 Q13547 1/20 0.43
MAPT P10636 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
SCHEMBL6420439 0.86 CES2 (0.52) POLBAPEX1CES2CES1SNCA
SCHEMBL6419670 0.86 POLB (0.56) POLBAPEX1CES2CES1ALOX5AP
SCHEMBL6433698 0.85 CES2 (0.50) CES2CES1SNCAL3MBTL1RAB9A
SCHEMBL4599072 0.84 POLB (0.50) POLBAPEX1CES2CES1ALOX5AP
SCHEMBL12121090 0.84 POLB (0.54) POLBAPEX1ALOX5APFEN1KDM4E
SCHEMBL6416783 0.83 CES2 (0.49) POLBAPEX1CES2CES1SNCA
SCHEMBL6419870 0.83 CES2 (0.49) CES2CES1SNCAL3MBTL1RAB9A
SCHEMBL6418339 0.83 KDM4E (0.51) CES2CES1SNCAL3MBTL1RAB9A
SCHEMBL6416032 0.83 CES2 (0.49) POLBAPEX1CES2CES1SNCA
SCHEMBL6419694 0.83 CNR2 (0.54) CES2CES1SNCAL3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936736-B2 Amide derivative SUMITOMO MANUFACTURING COMPANY LIMITED (JP) 2005-08-30 US claimed
EP-1034783-B1 AMIDE DERIVATIVES FOR THE TREATMENT OF RETINAL NEURODEGENERATIVE DISORDERS SUMITOMO PHARMA (JP) 2004-12-15 EP claimed
US-20020147204-A1 Amide derivative SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2002-10-10 US claimed
US-6384033-B1 DRUGS FOR VISION DEFECTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-05-07 US claimed
EP-1034783-A1 AMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 EP claimed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS NATIONAL CEREBRAL AND CARDIOVASCULAR CENTER (JP) 2017-01-19 US disclosed
US-20160168185-A1 NON-RIBOSE CONTAINING INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L FOR CANCER TREATMENT BAYLOR COLLEGE OF MEDICINE (US) 2016-06-16 US disclosed
US-8461209-B2 Malonic acid sulfonamide derivative and pharmaceutical use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2013-06-11 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-09 US disclosed
US-6936736-B2 Amide derivative SUMITOMO MANUFACTURING COMPANY LIMITED (JP) 2005-08-30 US disclosed
EP-1034783-B1 AMIDE DERIVATIVES FOR THE TREATMENT OF RETINAL NEURODEGENERATIVE DISORDERS SUMITOMO PHARMA (JP) 2004-12-15 EP disclosed
US-20020147204-A1 Amide derivative SUMITOMO PHARMACEUTICALS COMPANY, LIMITED 2002-10-10 US disclosed
US-6384033-B1 DRUGS FOR VISION DEFECTS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2002-05-07 US disclosed
JP-2000344752-A EYE DROP SUMITOMO PHARMACEUT CO LTD 2000-12-12 JP disclosed
EP-1034783-A1 AMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2000-09-13 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 (4 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-20160168185-A1 NON-RIBOSE CONTAINING INHIBITORS OF HISTONE METHYLTRANSFERASE DOT1L FOR CANCER TREATMENT DOT1L, CARM1, NSD1 POLB 1987/4885APEX1 665/4885CES2 977/4885
US-20020147204-A1 Amide derivative ALDH1A2, NR1H2, HDAC3 POLB 3216/4885APEX1 1777/4885CES2 3713/4885
US-20100228026-A1 NOVEL MALONIC ACID SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL USE THEREOF REN, AGTR2, AGTR1 POLB 4626/4885APEX1 3486/4885CES2 2835/4885
US-20170014419-A1 MEDICAMENT FOR SUPPRESSING MALIGNANT TUMOR METASTASIS AGTR2, MME, AGTR1 POLB 4812/4885APEX1 4589/4885CES2 3660/4885

“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.