SCHEMBL3745583

SCHEMBL3745583

COc1ccc(Br)c(C(=O)P(=O)(O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
PKM P14618 1/20 0.45
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HTT P42858 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
SCHEMBL3729905 0.82 KDM4E (0.49) HPGDSMN1; SMN2CYP1A2MAPTKDM4E
SCHEMBL31682610 0.82 RAB9A (0.58) HPGDPOLBSMN1; SMN2KMT2ANPC1
SCHEMBL23457081 0.82 RAB9A (0.58) HPGDPOLBSMN1; SMN2KMT2ANPC1
SCHEMBL3731866 0.82 HPGD (0.50) HPGDPOLBSMN1; SMN2KMT2ANPC1
SCHEMBL227238 0.80 SMN1; SMN2 (0.59) HPGDPOLBSMN1; SMN2KMT2AMEN1
SCHEMBL1652968 0.80 ALDH1A1 (0.59) HPGDPOLBSMN1; SMN2KMT2ANPC1
SCHEMBL7502111 0.79 HPGD (0.61) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL3731868 0.79 HPGD (0.51) HPGDPOLBSMN1; SMN2KMT2ANPC1
SCHEMBL385581 0.79 KMT2A (0.60) HPGDPOLBKMT2ANPC1RAB9A
SCHEMBL3341574 0.79 HPGD (0.52) HPGDPOLBSMN1; SMN2KMT2ANPC1

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
CN-101094677-A Protein tyrosine phosphatase inhibitors and methods of use thereof CEPTYR INC (US) 2007-12-26 CN 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 HPGD 2820/4885POLB 2599/4885SMN1; SMN2 831/4885
US-20090131374-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PPM1B, PTPN1, PTPN5 HPGD 2820/4885POLB 2599/4885SMN1; SMN2 831/4885

“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.