SCHEMBL8260296

SCHEMBL8260296

Cc1cccc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 2/20 0.56
AR P10275 1/20 0.50
RXRA P19793 3/20 0.47
RXRB P28702 3/20 0.47
RXRG P48443 2/20 0.44
PDK2 Q15119 1/20 0.43
ACHE P22303 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41

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
SCHEMBL26824942 0.96 PTPN5 (0.53) PTPN5ARRXRARXRBRXRG
SCHEMBL15497368 0.90 RXRA (0.46) PTPN5ARRXRARXRBRXRG
SCHEMBL20022097 0.90 PTPN5 (0.58) PTPN5ARIKBKBKDM4EHSD17B10
SCHEMBL2662898 0.90 PTPN5 (0.62) PTPN5ARIKBKBKDM4EHSD17B10
SCHEMBL20022104 0.88 PTPN5 (0.60) PTPN5ARIKBKBKDM4EHSD17B10
SCHEMBL20022132 0.88 PTPN5 (0.60) PTPN5ARIKBKBKDM4EHSD17B10
SCHEMBL31729762 0.88 PTPN5 (0.49) PTPN5ARRXRARXRBPDK2
SCHEMBL26821716 0.87 RXRA (0.47) PTPN5ARRXRARXRBRXRG
SCHEMBL26375414 0.86 PTPN5 (0.50) PTPN5GABRA1GABRG2GABRB3GABRA5
SCHEMBL25489511 0.85 RXRA (0.48) PTPN5RXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311813-A The functionalized universal ligand of the meta position-C-H of palladium chtalyst 斯克利普斯研究院 2019-02-05 CN disclosed
EP-2228364-A1 Acylsulfonamides as inhibitors of steroid sulfatase Novartis AG (CH) 2010-09-15 EP disclosed
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS MEINGASSNER JOSEF GOTTFRIED 2009-09-10 US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-7482462-B2 Acylsulfonamides as inhibitors of steroid sulfatase NOVARTIS AG (CH) 2009-01-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 US disclosed
US-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin NOVARTIS AG (CH) 2008-11-27 US disclosed
WO-2006097293-A2 COMBINATION OF A STEROID SULFATASE INHIBITOR AND AN ASCOMYCIN NOVARTIS AG (CH) 2006-09-21 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-20080293758-A1 Combination of a Steroid Sulfatase Inhibitor and an Ascomycin STS, ARSA, CYP17A1 PTPN5 1615/4885AR 318/4885RXRA 1388/4885
US-20090227620-A1 ANTI-INFLAMMATORY COMPOUNDS STS, SERPINB1, MPO PTPN5 1560/4885AR 2274/4885RXRA 1186/4885

“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.