SCHEMBL3351644

SCHEMBL3351644

O=C(O)[C@@H](O)Cc1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 1/20 0.56
PPARG P37231 15/20 0.56
PPARA Q07869 15/20 0.56
SLC6A4 P31645 1/20 0.48
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45

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
SCHEMBL16825731 1.00 KDM6B (0.56) KDM6BPPARGPPARASLC6A4SLC6A2
SCHEMBL2459377 1.00 KDM6B (0.56) KDM6BPPARGPPARASLC6A4SLC6A2
SCHEMBL10891346 0.89 KDM6B (0.67) KDM6B
SCHEMBL6712771 0.83 PPARG (0.59) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL9658999 0.82 SLC6A4 (0.47) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL19369765 0.82 SLC6A2 (0.48) KDM6BPPARGPPARASLC6A4SLC6A2
SCHEMBL1901447 0.82 SLC6A4 (0.52) PPARGPPARASLC6A4SLC6A2SLC6A3
SCHEMBL4663230 0.81 CYP1A2 (0.65) PPARGPPARASLC6A4
SCHEMBL235131 0.81 KDM6B (0.63) KDM6BSLC6A2
SCHEMBL289562 0.81 KDM6B (0.63) KDM6BSLC6A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883720-B2 Template-fixed beta-hairpin peptidomimetics with CXCR4 antagonizing activity POLYPHOR AG (CH) 2014-11-11 US disclosed
US-20110312879-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2011-12-22 US disclosed
WO-2010060479-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY POLYPHOR AG (CH) 2010-06-03 WO disclosed
US-7560460-B2 Substituted piperazines and methods of use AMGEN INC. (US) 2009-07-14 US disclosed
US-20070265248-A1 Substituted piperazines and methods of use AMGEN INC. (US) 2007-11-15 US disclosed
US-7115607-B2 Substituted piperazinyl amides and methods of use AMGEN INC. (US) 2006-10-03 US disclosed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP disclosed
US-20030220324-A1 Substituted piperazines and methods of use AMGEN INC. 2003-11-27 US disclosed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 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 (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-20030220324-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R KDM6B 2996/4885PPARG 47/4885PPARA 112/4885
US-20110312879-A1 TEMPLATE-FIXED BETA-HAIRPIN PEPTIDOMIMETICS WITH CXCR4 ANTAGONIZING ACTIVITY CXCL12, CXCR4, CXCR1 KDM6B 4503/4885PPARG 1778/4885PPARA 2168/4885
US-20070265248-A1 Substituted piperazines and methods of use MC5R, MC4R, MC1R KDM6B 2996/4885PPARG 47/4885PPARA 112/4885

“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.