SCHEMBL629546

SCHEMBL629546

COC(=O)C(O)=CC(=O)c1cccnc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.57
MAPT P10636 4/20 0.53
HPGD P15428 2/20 0.53
HTT P42858 1/20 0.53
GAA P10253 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 1/20 0.52
THRB P10828 1/20 0.52
CYP1A1 P04798 6/20 0.50
CYP1A2 P05177 6/20 0.50
CYP1B1 Q16678 6/20 0.50
CYP3A4 P08684 5/20 0.50
CYP2D6 P10635 5/20 0.50
APP P05067 1/20 0.50
HCAR3 P49019 1/20 0.50
HCAR2 Q8TDS4 1/20 0.50
CAPN1 P07384 1/20 0.50
CTSL P07711 1/20 0.50
CTSB P07858 1/20 0.50

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
SCHEMBL629545 1.00 ALDH1A1 (0.57) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL1058879 0.84 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL1058878 0.84 ALDH1A1 (0.49) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL15563222 0.82 ALDH1A1 (0.58) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL15563223 0.82 ALDH1A1 (0.58) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL3310563 0.82 NFE2L2 (0.53) ALDH1A1MAPTHTTGAANPC1
SCHEMBL2232374 0.82 NFE2L2 (0.53) ALDH1A1MAPTHTTGAANPC1
SCHEMBL2232370 0.82 NFE2L2 (0.53) ALDH1A1MAPTHTTGAANPC1
SCHEMBL2239090 0.81 POLB (0.46) ALDH1A1MAPTHPGDHTTGAA
SCHEMBL2239088 0.81 POLB (0.46) ALDH1A1MAPTHPGDHTTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534680-B1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PHARMACO INVESTMENTS INC (US) 2012-02-22 EP disclosed
WO-2011092505-A1 S100 PROTEIN BINDING INTERACTION INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-08-04 WO disclosed
US-7501444-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
US-7501446-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2009-03-10 US disclosed
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PHARMACEUTICAL PRODUCT DEVELOPMENT, INC. 2008-05-22 US disclosed
US-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors PHARMACEUTICAL PRODUCT DEVELOPMENT, LLC 2007-06-28 US disclosed
US-7166619-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY , INC. (US) 2007-01-23 US disclosed
US-20070010561-A1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PHARMACEUTICAL PRODUCT DEVELOPMENT, LLC 2007-01-11 US disclosed
EP-1534279-A4 PRENYLATION INHIBITORS CONTAINING DIMETHYL-CYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY INC (US) 2006-11-08 EP disclosed
US-7112596-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2006-09-26 US disclosed
US-20060025454-A1 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2006-02-02 US disclosed
US-6960603-B2 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. (US) 2005-11-01 US disclosed
EP-1534279-A2 PRENYLATION INHIBITORS CONTAINING DIMETHYL-CYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY, INC. (US) 2005-06-01 EP disclosed
EP-1534680-A1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY, INC. (US) 2005-06-01 EP disclosed
US-20050004122-A1 Prenylation inhibitors containing dimethylcyclobutane and methods of their synthesis and use DEVELOPMENT PARTNERS, LLC 2005-01-06 US disclosed
US-20040116425-A1 Prenylation inhibitors and methods of their synthesis and use X-CHEM, INC. 2004-06-17 US disclosed
US-20040053970-A1 Prenylation inhibitors and methods of their synthesis and use PPD DISCOVERY, INC. 2004-03-18 US disclosed
WO-2004016741-A2 PRENYLATION INHIBITORS CONTAINING DIMETHYL-CYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY, INC. (US) 2004-02-26 WO disclosed
WO-2004016592-A1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE PPD DISCOVERY, INC. (US) 2004-02-26 WO disclosed
US-6649638-B1 5-Pyridin-3-yl-1H-pyrazole-3-carboxylic amide derivatives; cancer, restenosis, psoriasis, endometriosis, atherosclerosis, viral or yeast infection, and corneal neovascularization treatment PPD DISCOVERY, INC. 2003-11-18 US 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 (6 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-20050004122-A1 Prenylation inhibitors containing dimethylcyclobutane and methods of their synthesis and use RCE1, GGPS1, FNTA ALDH1A1 3846/4885MAPT 3212/4885HPGD 853/4885
US-20060025454-A1 Prenylation inhibitors and methods of their synthesis and use FNTA, RCE1, GGPS1 ALDH1A1 3638/4885MAPT 3074/4885HPGD 712/4885
US-20070149549-A1 3-(Pyrid-3-yl)-5-(thiophen-2-yl)-pyrazoles; prenyl-protein transferase inhibitors FNTA, PTAR1, ZMPSTE24 ALDH1A1 3452/4885MAPT 1219/4885HPGD 1382/4885
US-20040053970-A1 Prenylation inhibitors and methods of their synthesis and use FNTA, RCE1, GGPS1 ALDH1A1 3638/4885MAPT 3074/4885HPGD 712/4885
US-20070010561-A1 PRENYLATION INHIBITORS AND METHODS OF THEIR SYNTHESIS AND USE FNTA, RCE1, GGPS1 ALDH1A1 3638/4885MAPT 3074/4885HPGD 712/4885
US-20080119524-A1 PRENYLATION INHIBITORS CONTAINING DIMETHYLCYCLOBUTANE AND METHODS OF THEIR SYNTHESIS AND USE RCE1, GGPS1, FNTA ALDH1A1 3846/4885MAPT 3212/4885HPGD 853/4885

“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.