Sugi Predict

Sugi Predict / Compounds / SCHEMBL7832783

SCHEMBL7832783

SCHEMBL7832783

O=C(c1ccccc1)C(Cc1ccc(CP(=O)(OF)OF)cc1)c1ccccc1.O=P(O)(O)C(F)(F)c1ccc(CC(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 16/20 0.60
▸ PTPN2 P17706 3/20 0.45
▸ PTPRC P08575 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ PGK1 P00558 1/20 0.35
▸ PGK2 P07205 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL7832767 0.93 PTPN1 (0.70) PTPN1PTPN2PTPRCPKMHPGD
SCHEMBL6945668 0.88 PTPN1 (0.58) PTPN1PTPN2PTPRC
SCHEMBL6945644 0.80 PTPN1 (0.67) PTPN1PTPN2PTPRC
SCHEMBL7832780 0.78 PTPN1 (0.60) PTPN1PTPN2PTPRC
SCHEMBL7166517 0.78 PTPN1 (1.00) PTPN1PTPN2PGK1PGK2
SCHEMBL7166520 0.78 PTPN1 (0.62) PTPN1PTPN2ALDH1A1
SCHEMBL5165050 0.67 PGK1 (0.50) PTPN1PTPN2PTPRCPGK1PGK2
SCHEMBL7622074 0.67 PTPN1 (0.71) PTPN1PTPN2
SCHEMBL7617987 0.65 PTPN1 (0.61) PTPN1PTPN2ALDH1A1
SCHEMBL5189648 0.64 PTPN1 (0.44) PTPN1PTPN2PTPRCPGK1PGK2

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
EP-1115729-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B Merck Frosst Canada & Co. (CA) 2001-07-18 — — EP disclosed
WO-2000017211-A1 PHOSPHONIC ACIDS DERIVATIVES AS INHIBITORS OF PTP-1B MERCK FROSST CANADA & CO. (CA) 2000-03-30 — — WO disclosed