SCHEMBL18230877

SCHEMBL18230877

O=C(O)c1cc2c(C#Cc3cccc(Cl)c3)c(-c3ccc(OCC(=O)N4CCC(c5ccc(Cl)c(Cl)c5)CC4)cc3)oc2cc1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 20/20 1.00
PTPN6 P29350 9/20 0.67
PTPN11 Q06124 9/20 0.67
PTPRC P08575 8/20 0.67
PTPN2 P17706 8/20 0.67
PTPN1 P18031 8/20 0.67
PTPN9 P43378 8/20 0.67
DUSP3 P51452 8/20 0.67
PTPRG P23470 4/20 0.67
ACP1 P24666 4/20 0.67
PTPN7 P35236 4/20 0.67
PTPN13 Q12923 4/20 0.67
PTPRB P23467 2/20 0.67
PTPN3 P26045 2/20 0.67
PTPRM P28827 2/20 0.67
PTPN12 Q05209 2/20 0.67
DUSP23 Q9BVJ7 2/20 0.67
DUSP15 Q9H1R2 2/20 0.67
EPM2A O95278 2/20 0.45
DUSP22 Q9NRW4 2/20 0.45

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
SCHEMBL15829192 0.95 PTPN22 (0.90) PTPN22PTPN6PTPN11PTPRCPTPN2
SCHEMBL15829188 0.82 PTPN22 (1.00) PTPN22PTPN6PTPN11PTPRCPTPN2
SCHEMBL13736685 0.80 PTPN22 (1.00) PTPN22PTPN6PTPN11PTPRCPTPN2
SCHEMBL15829190 0.77 PTPN22 (1.00) PTPN22PTPN6PTPN11PTPRCPTPN2
SCHEMBL15829189 0.76 PTPN22 (1.00) PTPN22PTPN6PTPN11PTPRCPTPN2
SCHEMBL15829191 0.76 PTPN22 (1.00) PTPN22PTPN6PTPN11PTPRCPTPN2
SCHEMBL18230879 0.75 PTPN22 (1.00) PTPN22PTPN6PTPN11PTPRCPTPN2
SCHEMBL15829185 0.75 PTPN22 (1.00) PTPN22PTPN6PTPN11PTPRCPTPN2
SCHEMBL15829193 0.74 PTPN22 (0.84) PTPN22PTPN6PTPN11PTPRCPTPN2
SCHEMBL18230880 0.72 PTPN22 (1.00) PTPN22PTPN6PTPN11PTPRCPTPN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9493436-B2 Tyrosine phosphatase inhibitors and uses thereof to modulate the activity of enzymes involved in the pathology of Mycobacterium tuberculosis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-11-15 US disclosed
US-9493436-B2 Tyrosine phosphatase inhibitors and uses thereof to modulate the activity of enzymes involved in the pathology of Mycobacterium tuberculosis INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-11-15 US disclosed