SCHEMBL2157188

SCHEMBL2157188

CCC1(C(=O)O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.36
KDM1A O60341 6/20 0.35
MAOA P21397 6/20 0.35
MAOB P27338 6/20 0.35
TSHR P16473 2/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 1/20 0.34
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP2C9 P11712 1/20 0.32
DHFR P00374 1/20 0.32

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
SCHEMBL7510595 0.87 KDM1A (0.38) CYP3A4KDM1AMAOAMAOBTSHR
SCHEMBL4459325 0.83 HTR2C (0.36) CYP3A4KDM1AMAOBMEN1KMT2A
SCHEMBL21043746 0.82 MAPT (0.40) CYP3A4KDM1ATSHRMEN1KMT2A
SCHEMBL4184927 0.82 PPARG (0.39)
SCHEMBL4183418 0.82 PPARG (0.39)
SCHEMBL4181876 0.82 PPARG (0.39)
SCHEMBL10440676 0.82 PPARG (0.39)
SCHEMBL11211134 0.82 TDP1 (0.36) CYP3A4TSHRMEN1KMT2AMAPT
SCHEMBL9746013 0.82 PPARG (0.39)
SCHEMBL4371618 0.77 SLC9A1 (0.36) CYP3A4KDM1AMAOAMAOBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000022909-A2 SYSTEMS FOR ORAL DELIVERY BIOTECH AUSTRALIA PTY. LIMITED (AU) 2000-04-27 WO claimed
US-20110183358-A1 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2011-07-28 US disclosed
EP-1404372-B1 PHARMACEUTICAL FORMULATIONS AND LIGANDS FOR USE THEREIN; MIMETICS FOR UEA-1 SARLAN LTD (BM) 2010-03-03 EP disclosed
US-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase THE BURNHAM INSTITUTE (US) 2009-02-12 US disclosed
EP-1951278-A2 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE The Burnham Institute (US) 2008-08-06 EP disclosed
EP-1865977-A2 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE The Burnham Institute for Medical Research (US) 2007-12-19 EP disclosed
EP-1218337-B1 SYNTHESIS OF 3,5,7|-1H-IMIDAZO 1,5-A|IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INST (US) 2007-10-31 EP disclosed
US-7217688-B2 Methods and compositions for derepression of IAP-inhibited caspase THE BURNHAM INSTITUTE (US) 2007-05-15 US disclosed
WO-2007047551-A2 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2007-04-26 WO disclosed
US-7166296-B2 Pharmaceutical formulations and ligands for use therein; mimetics for UEA-1 SARLAN, LTD. (BM) 2007-01-23 US disclosed
WO-2003045974-A2 METHODS AND COMPOSITIONS FOR DEREPRESSION OF IAP-INHIBITED CASPASE THE BURNHAM INSTITUTE (US) 2003-06-05 WO disclosed
US-6545032-B1 Combinatorial libraries TORREY PINES INSTITUTE FOR MOLECULAR STUDIES 2003-04-08 US disclosed
EP-1218337-A4 SYNTHESIS OF 3,5,7]-1H-IMIDAZO 1,5-A]IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INST (US) 2002-09-11 EP disclosed
EP-1218337-A1 SYNTHESIS OF 3,5,7]-1H-IMIDAZO 1,5-A]IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2002-07-03 EP disclosed
US-6359144-B1 BIOSYNTHESIS; SCREENING LION BIOSCIENCE AG (DE) 2002-03-19 US disclosed
WO-2001019783-A1 SYNTHESIS OF [3,5,7]-1H-IMIDAZO[1,5-A]IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2001-03-22 WO disclosed
WO-2000022909-A2 SYSTEMS FOR ORAL DELIVERY BIOTECH AUSTRALIA PTY. LIMITED (AU) 2000-04-27 WO disclosed
US-5856107-A Combinatorial libraries of imidazol-pyrido-indole and imidazol-pyrido-benzothiophene derivatives, methods of making the libraries and compounds therein TREGA BIOSCIENCES, INC. (US) 1999-01-05 US disclosed
WO-1998034113-A1 COMBINATORIAL LIBRARIES OF BICYCLIC GUANIDINE DERIVATIVES AND COMPOUNDS THEREIN TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO disclosed
WO-1998034112-A1 COMBINATORIAL LIBRARIES OF IMIDAZOL-PYRIDO-INDOLES AND IMIDAZOL-PYRIDO-BENZOTHIOPHENE DERIVATIVES TREGA BIOSCIENCES, INC. (US) 1998-08-06 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 (1 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-20090043099-A1 Methods and compositions for derepression of IAP-inhibited caspase BIRC5, API5, BIRC3 CYP3A4 3983/4885KDM1A 993/4885MAOA 3208/4885

“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.