SCHEMBL4894965

SCHEMBL4894965

CC(C)(C)OC(=O)[C@H]1CC[C@H](OC(=O)c2ccc([N+](=O)[O-])cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.56
PTPN2 P17706 2/20 0.55
PTPN1 P18031 2/20 0.55
MAPT P10636 6/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.51
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.42
PTPN6 P29350 1/20 0.40
PTPN11 Q06124 1/20 0.40
MEN1 O00255 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL4894971 1.00 POLB (0.56) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL17911443 0.93 POLB (0.57) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL17911442 0.93 POLB (0.57) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL8292798 0.82 PTPN2 (0.55) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL14612114 0.82 PTPN2 (0.55) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL25641868 0.81 POLB (0.54) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL25641867 0.81 POLB (0.54) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL24516605 0.80 POLB (0.65) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL17812936 0.80 POLB (0.51) POLBPTPN2PTPN1MAPTALDH1A1
SCHEMBL13934786 0.80 L3MBTL1 (0.51) POLBPTPN2PTPN1MAPTALDH1A1

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
EP-3138842-B1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS ZHEJIANG DTRM BIOPHARMA CO LTD (CN) 2020-12-09 EP disclosed
US-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors Zhejiang DTRM Biopharma Co. Ltd. (CN) 2019-05-28 US disclosed
US-20180207161-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2018-07-26 US disclosed
US-9861636-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors Zhejiang DTRM Biopharma Co. Ltd. (CN) 2018-01-09 US disclosed
US-20170065594-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2017-03-09 US disclosed
EP-3138842-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON'S TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co., Ltd. (CN) 2017-03-08 EP disclosed
US-9532990-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors Zhejiang DTRM Biopharma Co. Ltd. (CN) 2017-01-03 US disclosed
US-20160200730-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS Zhejiang DTRM Biopharma Co. Ltd. (CN) 2016-07-14 US disclosed
US-20080234271-A1 Arylphenylamino- and Arylphenylether-Sulfide Derivatives, Useful For the Treatment of Inflammatory and Immune Diseases, and Pharmaceutical Compositions Containing Them ICOS CORPORATION (US) 2008-09-25 US disclosed
EP-1740561-A2 ARYLPHENYLAMINO-AND ARYLPHENYLETHER-SULFIDE DERIVATIVES, USEFUL FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISEASES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ICOS Corporation (US) 2007-01-10 EP disclosed
WO-2005105766-A2 ARYLPHENYLAMINO-AND ARYLPHENYLETHER-SULFIDE DERIVATIVES, USEFUL FOR THE TREATMENT OF INFLAMMATORY AND IMMUNE DISEASES, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ICOS CORPORATION (US) 2005-11-10 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 (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-20160200730-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN POLB 2475/4885PTPN2 77/4885PTPN1 61/4885
US-20170065594-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN POLB 2475/4885PTPN2 77/4885PTPN1 61/4885
US-20180207161-A1 POLYFLUORINATED COMPOUNDS ACTING AS BRUTON TYROSINE KINASE INHIBITORS BTK, LCK, LYN POLB 2475/4885PTPN2 77/4885PTPN1 61/4885
US-20080234271-A1 Arylphenylamino- and Arylphenylether-Sulfide Derivatives, Useful For the Treatment of Inflammatory and Immune Diseases, and Pharmaceutical Compositions Containing Them HPGDS, AHR, TST POLB 4292/4885PTPN2 231/4885PTPN1 224/4885
US-10300066-B2 Polyfluorinated compounds acting as bruton tyrosine kinase inhibitors BTK, LCK, LYN POLB 2475/4885PTPN2 77/4885PTPN1 61/4885

“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.