SCHEMBL3747528

SCHEMBL3747528

CCOP(=O)(OCC)C(F)(F)c1ccc(CCNC(=O)CCCc2c[nH]c3ccccc23)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
MTNR1A P48039 2/20 0.52
GFER P55789 1/20 0.49
TERT O14746 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C19 P33261 2/20 0.45
HPGD P15428 1/20 0.45
RECQL P46063 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AANAT Q16613 1/20 0.44
MAPT P10636 1/20 0.44

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 0.88 MEN1 (0.60) MEN1KMT2AMTNR1AGFERCYP1A2
SCHEMBL3747529 0.86 MEN1 (0.51) MEN1KMT2AMTNR1AGFERTERT
SCHEMBL3738509 0.85 TRPV1 (0.51) MEN1KMT2AHPGD
SCHEMBL3737787 0.82 TRPV1 (0.47) MEN1KMT2AHPGD
SCHEMBL3736642 0.81 LMNA (0.45) MEN1KMT2AHPGDALDH1A1KDM4E
SCHEMBL3743388 0.78 KMT2A (0.47) MEN1KMT2AMTNR1AHPGDALDH1A1
SCHEMBL3735481 0.77 PTPN1 (0.44) MTNR1AHPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL3737634 0.77 CA1 (0.46) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL3745490 0.76 ESRRG (0.48) MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3738761 0.74 CA2 (0.41) MAPTTDP1

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.