SCHEMBL3747529

SCHEMBL3747529

CCC(C)OP(=O)(O)C(F)(F)c1ccc(CCNC(=O)CCCc2c[nH]c3ccccc23)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MTNR1A P48039 2/20 0.49
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
GFER P55789 1/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HCRTR1 O43613 1/20 0.43
TERT O14746 1/20 0.43
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL3741880 0.87 MEN1 (0.60) MEN1KMT2AMTNR1ACYP1A2CYP2D6
SCHEMBL3738515 0.86 TRPV1 (0.47) MEN1KMT2AHPGDALDH1A1
SCHEMBL3747528 0.86 MEN1 (0.55) MEN1KMT2AMTNR1ACYP1A2CYP2D6
SCHEMBL3737791 0.84 TRPV1 (0.44) HPGD
SCHEMBL3736646 0.83 LMNA (0.41) MEN1KMT2AHPGDKDM4EALDH1A1
SCHEMBL3735483 0.79 PTPN1 (0.43) MTNR1AHPGDKDM4EALDH1A1MAPT
SCHEMBL3737636 0.79 CA1 (0.42) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL3745494 0.78 PTPN2 (0.45) MEN1KMT2AMAPT
SCHEMBL3738765 0.76 CA2 (0.41) MAPTTDP1
SCHEMBL3735418 0.75 PTPN1 (0.37)

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 2684/4885MTNR1A 1897/4885
US-20060142250-A1 Protein tyrosine phosphatase inhibitors and methods of use thereof PPM1B, PTPN1, PTPN5 MEN1 3695/4885KMT2A 2684/4885MTNR1A 1897/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 MEN1 3695/4885KMT2A 2684/4885MTNR1A 1897/4885

“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.