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Sugi Predict / Compounds / SCHEMBL7832767

SCHEMBL7832767

SCHEMBL7832767

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

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 17/20 0.70
▸ PTPN2 P17706 3/20 0.51
▸ PTPRC P08575 1/20 0.43
▸ PKM P14618 1/20 0.40
▸ HPGD P15428 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL7832783 0.93 PTPN1 (0.60) PTPN1PTPN2PTPRCPKMHPGD
SCHEMBL6945644 0.86 PTPN1 (0.67) PTPN1PTPN2PTPRC
SCHEMBL7166517 0.84 PTPN1 (1.00) PTPN1PTPN2
SCHEMBL7832780 0.82 PTPN1 (0.60) PTPN1PTPN2PTPRC
SCHEMBL6945668 0.80 PTPN1 (0.58) PTPN1PTPN2PTPRC
SCHEMBL7622074 0.70 PTPN1 (0.71) PTPN1PTPN2
SCHEMBL6950197 0.68 PTPN1 (0.66) PTPN1PTPN2PTPRC
SCHEMBL7161699 0.68 PTPN1 (1.00) PTPN1PTPN2PTPRC
SCHEMBL29240033 0.68 PTPN1 (0.67) PTPN1PTPN2
SCHEMBL6203944 0.67 EPHX1 (0.65) PTPN1PTPN2ALDH1A1

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