SCHEMBL166468

SCHEMBL166468

O=C(CBr)c1ccccc1Br

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.57
GSK3B P49841 3/20 0.52
ALDH1A1 P00352 4/20 0.51
HPGD P15428 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
HPGDS O60760 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ELANE P08246 1/20 0.42

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
SCHEMBL8740774 1.00 PTPN1 (0.57) PTPN1GSK3BALDH1A1HPGDSMN1; SMN2
SCHEMBL29758522 1.00 PTPN1 (0.57) PTPN1GSK3BALDH1A1HPGDSMN1; SMN2
SCHEMBL9409754 0.85 PTPN1 (0.65) PTPN1GSK3BALDH1A1HPGDSMN1; SMN2
SCHEMBL28053559 0.84 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL15979732 0.84 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL30089542 0.84 ALDH1A1 (0.53) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL3703924 0.82 ALDH1A1 (0.51) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL29322296 0.81 PTPN1 (0.52) PTPN1GSK3BALDH1A1HPGDSMN1; SMN2
SCHEMBL8744733 0.80 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E
SCHEMBL12430466 0.80 ALDH1A1 (0.50) ALDH1A1HPGDSMN1; SMN2HSD17B10KDM4E

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 769 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4651946-B2 2011-03-16 JP claimed
US-20090202439-A1 Methods for treatment of angiogenesis THE JOHNS HOPKINS UNIVERSITY (US) 2009-08-13 US claimed
EP-1799258-A4 METHODS FOR TREATMENT OF ANGIOGENESIS UNIV JOHNS HOPKINS (US) 2009-07-22 EP claimed
EP-1951315-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS Ilypsa, Inc. (US) 2008-08-06 EP claimed
EP-1558273-A4 TREATMENT AND PREVENTION OF PULMONARY CONDITIONS SCRIPPS RESEARCH INST (US) 2008-07-16 EP claimed
EP-1747003-A4 PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN ILYPSA INC (US) 2008-01-09 EP claimed
US-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen ILYPSA, INC. 2007-12-20 US claimed
EP-1799258-A2 METHODS FOR TREATMENT OF ANGIOGENESIS THE JOHNS-HOPKINS UNIVERSITY (US) 2007-06-27 EP claimed
WO-2007056279-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO claimed
EP-1747003-A1 PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN Ilypsa, Inc. (US) 2007-01-31 EP claimed
WO-2003051295-A2 NEUTRALIZATION OF STRATUM CORNEUM TO TREAT HYPERKERATOTIC SKIN LESIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2003-06-26 WO claimed
US-20030113352-A1 Neutralization of stratum corneum to treat hyperkeratotic skin lesions THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-06-19 US claimed
US-6562606-B1 Composition for use as tool in the transfer pharmeceutical across epithelial barriers THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-13 US claimed
US-6190894-B1 APPLYING INHIBITORS OF BIOSYNTHESIS OR DEGRADATION, DEGRADATION ENZYMES, AND/OR INHIBITORS AND ACTIVATORS OF METABOLIC ENZYMES; FOR TOPICAL ADMINISTRATION OF PHYSIOLOGICALLY ACTIVE SUBSTANCES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-02-20 US claimed
WO-1998017253-A1 METHOD AND COMPOSITIONS FOR DISRUPTING THE EPITHELIAL BARRIER FUNCTION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-04-30 WO claimed
EP-0764017-A4 METHODS AND COMPOSITIONS FOR DISRUPTING THE EPITHELIAL BARRIER FUNCTION CELLEGY PHARMA INC (US) 1997-08-06 EP claimed
EP-0764017-A1 METHODS AND COMPOSITIONS FOR DISRUPTING THE EPITHELIAL BARRIER FUNCTION CELLEGY PHARMACEUTICALS, INC. (US) 1997-03-26 EP claimed
WO-1994021230-A1 METHOD AND COMPOSITIONS FOR DISRUPTING THE EPITHELIAL BARRIER FUNCTION CELLEGY PHARMACEUTICALS, INC. (US) 1994-09-29 WO claimed
WO-1993019745-A1 METHOD OF TREATING CLOSTRIDIUM DIFFICILE COLITIS AND CHOLERA THE UNIVERSITY OF VIRGINIA PATENTS FOUNDATION (US) 1993-10-14 WO claimed
EP-0322262-B1 BASIC PROTEIN PHOSPHOLIPASE A2 OF AN ELAPIDE SNAKE VENOM, AMINO ACID SEQUENCE THEREOF, DERIVATIVES AND FRAGMENTS THEREOF, PROCESS FOR OBTAINING THEM, THERAPEUTIC COMPOSITIONS AND DIAGNOSTIC AGENTS CONTAINING THEM COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1993-01-13 EP claimed

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-20090202439-A1 Methods for treatment of angiogenesis B4GALT1, FLT1, FLT4 PTPN1 3288/4885GSK3B 1968/4885ALDH1A1 999/4885
US-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen PNLIP, PLA2G2E, PLA2G4B PTPN1 1271/4885GSK3B 2515/4885ALDH1A1 3621/4885

“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.