SCHEMBL3741538

SCHEMBL3741538

CCOP(=O)(OCC)C(O)c1cc2c(cc1Br)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MAPT P10636 3/20 0.43
▸ POLB P06746 2/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ GAA P10253 5/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ SRC P12931 1/20 0.40
▸ HPGD P15428 3/20 0.36
▸ TSHR P16473 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ CASP1 P29466 2/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ GLA P06280 2/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ PKM P14618 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
SCHEMBL27696006 0.78 SRC (0.61) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL3741547 0.77 SRC (0.40) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL4003543 0.72 POLB (0.48) POLBL3MBTL1GAAALDH1A1HPGD
SCHEMBL5396797 0.71 POLB (0.47) MEN1KMT2APOLBL3MBTL1GAA
SCHEMBL3732664 0.71 ALDH1A1 (0.41) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL2694270 0.71 POLB (0.43) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL3738537 0.68 MAPT (0.38) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL3464366 0.67 ALDH1A1 (0.50) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL13269680 0.67 HPGD (0.46) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL10550112 0.67 ALDH1A1 (0.42) MAPTPOLBL3MBTL1GAAALDH1A1

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-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-7504389-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR, INC. (US) 2009-03-17 — — 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
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof FALCON TECHNOLOGY PARTNERS L.P. 2006-06-29 — — US 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 (3 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 MEN1 3695/4885KMT2A 2684/4885MAPT 3112/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 MEN1 3695/4885KMT2A 2684/4885MAPT 3112/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 MEN1 3695/4885KMT2A 2684/4885MAPT 3112/4885

“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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