SCHEMBL4956631

SCHEMBL4956631

CC(C)OC(=O)OC(C)OC(=O)c1ccc(-c2csc(NCc3ccc(C(F)(F)P(=O)(O)OC(C)OC(=O)OC(C)C)c(Br)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 1/20 0.38
MAPT P10636 8/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 5/20 0.38
KMT2A Q03164 5/20 0.38
PKM P14618 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
ROCK1 Q13464 2/20 0.36
ROCK2 O75116 1/20 0.36
PTPN1 P18031 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALK Q9UM73 1/20 0.33
HDAC4 P56524 1/20 0.33
MEF2D Q14814 1/20 0.33

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
SCHEMBL4958014 0.79 PTPN2 (0.31) PTPN1PTPN2
SCHEMBL4954706 0.78 PTGER3 (0.39) PTGER3MAPTALDH1A1MEN1KMT2A
SCHEMBL4956185 0.77 HDAC3 (0.47) PTGER3MAPTALDH1A1MEN1KMT2A
SCHEMBL4955075 0.72 PTPN1 (0.45) PTGER3MAPTALDH1A1MEN1KMT2A
SCHEMBL4889894 0.72 PTPN1 (0.33) ALDH1A1LMNAPTPN1SMN1; SMN2PTPN2
SCHEMBL4955427 0.70 PTPN1 (0.42) PTGER3MAPTALDH1A1MEN1KMT2A
SCHEMBL14266790 0.70 PTPN1 (0.44) MAPTMEN1KMT2ARAB9APTPN1
SCHEMBL5274387 0.69 MEN1 (0.46) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL5507258 0.69 PTPN1 (0.37) PTPN1PTPN2
SCHEMBL4956187 0.65 HDAC3 (0.44) PTGER3MAPTALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES IMPINJ, INC. 2008-08-21 US disclosed
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES IMPINJ, INC. 2008-08-21 US disclosed
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES IMPINJ, INC. 2008-08-21 US disclosed
US-7381736-B2 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
US-7381736-B2 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
US-7381736-B2 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-06-03 US disclosed
US-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases METABASIS THERAPEUTICS, INC. 2006-08-31 US 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-20060194768-A1 Thiazole and thiadiazole inhibitors of tyrosine phosphatases PTPN1, PTPN5, PTPN18 PTGER3 2979/4885MAPT 2035/4885ALDH1A1 1531/4885
US-20080200371-A1 THIAZOLE AND THIADIAZOLE INHIBITORS OF TYROSINE PHOSPHATASES PTPN1, PTPN5, PTPN18 PTGER3 2979/4885MAPT 2035/4885ALDH1A1 1531/4885

“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.