SCHEMBL6001702

SCHEMBL6001702

COC(=O)c1ccc(OCCO)cc1C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.43
NR1I2 O75469 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL13164008 0.88 THRB (0.56) MAPTTDP1L3MBTL1KDM4ETHRA
SCHEMBL27832010 0.86 MAPT (0.50) MAPTTDP1L3MBTL1RAB9ATHRA
SCHEMBL27433299 0.86 MAPT (0.54) MAPTTDP1L3MBTL1RAB9AKDM4E
SCHEMBL30966091 0.86 MAPT (0.54) MAPTTDP1L3MBTL1RAB9AKDM4E
SCHEMBL27433524 0.85 MAPT (0.49) MAPTTDP1L3MBTL1RAB9AKDM4E
SCHEMBL30966100 0.85 MAPT (0.49) MAPTTDP1L3MBTL1RAB9AKDM4E
SCHEMBL30966087 0.85 MAPT (0.49) MAPTTDP1L3MBTL1RAB9ATHRA
SCHEMBL27433523 0.85 MAPT (0.49) MAPTTDP1L3MBTL1RAB9AKDM4E
SCHEMBL3319405 0.84 CA12 (0.60) MAPTRAB9AGAANPC1LMNA
SCHEMBL16955174 0.84 TDP1 (0.52) MAPTTDP1RAB9AKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212296-B9 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2006-05-10 EP disclosed
EP-1212296-B1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN INC (US) 2005-11-09 EP disclosed
US-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors SUGEN, INC. 2004-07-15 US disclosed
US-6596772-B1 Relates to trifluoromethyl sulfonyl and trifluoromethyl sulfonamido compounds and the physiologically acceptable salts and the prodrugs thereof. These compounds are expected to modulate the activity of protein tyrosine enzymes which are SUGEN, INC. 2003-07-22 US disclosed
EP-1212296-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2002-06-12 EP disclosed
WO-2001016097-A1 PHOSPHATE MIMICS AND METHODS OF TREATMENT USING PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-03-08 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 (1 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-20040138255-A1 Phosphate mimics and methods of treatment using phosphatease inhibitors PPP4C, PTPRO, PTPRS MAPT 1805/4885TDP1 375/4885L3MBTL1 1316/4885

“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.