SCHEMBL16664708

SCHEMBL16664708

O=Cc1cc(OS(=O)(=O)C(F)(F)F)cc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PPARG P37231 1/20 0.34
HTR1A P08908 2/20 0.33
HTR1D P28221 2/20 0.33
HTR1B P28222 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
HSD11B1 P28845 1/20 0.33
CXCR2 P25025 2/20 0.33
CXCR1 P25024 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
CISD1 Q9NZ45 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1B1 Q16678 1/20 0.31

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
SCHEMBL4730537 0.91 CYP1A1 (0.47) CYP1A1CYP1B1
SCHEMBL18087240 0.91 CXCR2 (0.35) STSCA1CA2PPARGHTR1A
SCHEMBL18002911 0.88 EPAS1 (0.35) STSCA1CA2PPARGHTR1A
SCHEMBL18001992 0.88 ALDH1A1 (0.37) STSCA1CA2PPARGHTR1A
SCHEMBL926505 0.85 CA2 (0.41) CA1CA2HTR1AHTR1DHTR1B
SCHEMBL13168953 0.83 AHR (0.43) CA1CA2PPARGHTR1AHTR1D
SCHEMBL2809078 0.82 MAOA (0.57) PPARGMAOAMAOBCYP1A1
SCHEMBL30036812 0.82 MAOA (0.49) CA1CA2PPARGMAOAMAOB
SCHEMBL840975 0.80 STS (0.60) STSCA1CA2PPARGCXCR2
SCHEMBL19818371 0.80 CXCR2 (0.31) CXCR2CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3072873-B1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST UNIV SANTIAGO COMPOSTELA (ES) 2019-02-20 EP disclosed
US-9878045-B2 Triorthogonal reagents for dual protein conjugation REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-01-30 US disclosed
US-9663429-B2 Vitamin D analogues of pharmaceutical interest UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2017-05-30 US disclosed
US-9663429-B2 Vitamin D analogues of pharmaceutical interest UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2017-05-30 US disclosed
US-9663429-B2 Vitamin D analogues of pharmaceutical interest UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2017-05-30 US disclosed
US-20160297731-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2016-10-13 US disclosed
US-20160297731-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2016-10-13 US disclosed
US-20160297731-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2016-10-13 US disclosed
EP-3072873-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST Universidade De Santiago De Compostela (ES) 2016-09-28 EP disclosed
EP-3072873-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST Universidade De Santiago De Compostela (ES) 2016-09-28 EP disclosed
US-20160271261-A1 TRIORTHOGONAL REAGENTS FOR DUAL PROTEIN CONJUGATION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-09-22 US disclosed
WO-2015075291-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST UNIVERSIDADE DE SANTIAGO DE COMPOSTELA (ES) 2015-05-28 WO disclosed
WO-2015057863-A1 TRIORTHOGONAL REAGENTS FOR DUAL PROTEIN CONJUGATION REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-04-23 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 (2 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-20160297731-A1 VITAMIN D ANALOGUES OF PHARMACEUTICAL INTEREST CYP24A1, VDR, CYP2R1 STS 1633/4885CA1 1347/4885CA2 216/4885
US-20160271261-A1 TRIORTHOGONAL REAGENTS FOR DUAL PROTEIN CONJUGATION FNTA, FNTB, GNPAT STS 682/4885CA1 4338/4885CA2 4270/4885

“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.