SCHEMBL496606

SCHEMBL496606

COC(=O)c1ccc(C(C)(C)C)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.51
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
ESRRG P62508 1/20 0.44
KIF11 P52732 1/20 0.43
CA12 O43570 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CA1 P00915 1/20 0.43
CA7 P43166 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK4 Q16654 1/20 0.43
CA14 Q9ULX7 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 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
SCHEMBL17996053 0.87 CFTR (0.47) CFTREPHX2NR1H4ESRRGKIF11
SCHEMBL694388 0.86 CFTR (0.69) CFTRCA12CA2CA9CA1
SCHEMBL12203032 0.86 CFTR (0.47) CFTREPHX2NR1H4KIF11CA12
SCHEMBL23645185 0.84 CFTR (0.51) CFTRKIF11CA12CA2CA9
SCHEMBL25374714 0.83 CFTR (0.53) CFTRCA12CA2CA9CA1
SCHEMBL18512401 0.82 CFTR (0.50) CFTRNR1H4ESRRGKIF11CA12
SCHEMBL3157053 0.81 CA12 (0.62) CFTRNR1H4KIF11CA12CA2
SCHEMBL13945805 0.81 CFTR (0.49) CFTRNR1H4KIF11CA12CA2
SCHEMBL495841 0.80 NR1H4 (0.60) EPHX2NR1H4ESRRGKDM4EALDH1A1
SCHEMBL26804966 0.80 NR1H4 (0.46) EPHX2NR1H4ESRRGALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
US-20200190089-A1 SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY AS CR V.V.I. (CZ) 2020-06-18 US disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 EP disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
EP-1955697-B1 2-AMINOBENZAMIDE DERIVATIVES AS VANILLOID RECEPTOR 1 (VR1) INHIBITORS USEFUL FOR THE TREATMENT OF PAIN OR BLADDER FUNCTION DISORDER ASTELLAS PHARMA INC (JP) 2012-05-02 EP disclosed
US-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK CFTR 1809/4885EPHX2 2317/4885NR1H4 4173/4885
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE TRPV1, TRPV2, TRPV5 CFTR 2040/4885EPHX2 2325/4885NR1H4 2025/4885
US-20200190089-A1 SMALL MOLECULE INHIBITORS OF NEUTRAL SPHINGOMYELINASE 2 (NSMASE2) FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SMPD2, SPTLC2, SGMS2 CFTR 4833/4885EPHX2 1680/4885NR1H4 4489/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK CFTR 1809/4885EPHX2 2317/4885NR1H4 4173/4885

“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.