SCHEMBL3743024

SCHEMBL3743024

CCOc1ccc(Br)c(C(O)P(=O)(O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.41
▸ THRB P10828 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HPGD P15428 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ NQO1 P15559 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MMP1 P03956 1/20 0.38
▸ MMP2 P08253 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ MMP14 P50281 1/20 0.38
▸ PLK1 P53350 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ ESR2 Q92731 1/20 0.36

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
SCHEMBL4003543 0.85 POLB (0.48) KDM4EHPGDALDH1A1AKR1C3AKR1C2
SCHEMBL6745102 0.79 MEN1 (0.47) KDM4EHPGDALDH1A1AKR1C3AKR1C2
SCHEMBL6741564 0.79 MEN1 (0.47) KDM4EHPGDALDH1A1AKR1C3AKR1C2
SCHEMBL3729905 0.74 KDM4E (0.49) KDM4EHPGDALDH1A1NQO1TP53
SCHEMBL27696121 0.73 KDM4E (0.48) KDM4EHPGDALDH1A1NQO1TP53
SCHEMBL16955896 0.72 NQO1 (0.45) KDM4EHPGDALDH1A1AKR1C3AKR1C2
SCHEMBL16956955 0.72 NQO1 (0.41) KDM4EHPGDALDH1A1AKR1C3AKR1C2
SCHEMBL3737738 0.71 KDM4E (0.43) THRATHRBKDM4EAKR1C3AKR1C2
SCHEMBL3737734 0.71 PTPN1 (0.50) KDM4EKMT2A
SCHEMBL9425356 0.70 NQO1 (0.56) KDM4EHPGDALDH1A1NQO1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7829737-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2010-11-09 — — US disclosed
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2009-05-21 — — US disclosed
US-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2008-07-03 — — US disclosed
EP-1812012-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF Ceptyr, Inc. (US) 2007-08-01 — — EP disclosed
WO-2006055525-A2 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CEPTYR, INC. (US) 2006-05-26 — — 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 (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-20080161592-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 THRA 2872/4885THRB 1324/4885KDM4E 2075/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 THRA 2872/4885THRB 1324/4885KDM4E 2075/4885

“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.

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