SCHEMBL2189182

SCHEMBL2189182

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nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
HSP90B1 P14625 1/20 0.40
LMNA P02545 3/20 0.39
PPM1B O75688 1/20 0.39
PTPN1 P18031 1/20 0.39
PPP1CC P36873 1/20 0.39
ALDH1A1 P00352 4/20 0.34
CTSL P07711 2/20 0.33
CAPN1 P07384 1/20 0.33
CTSB P07858 1/20 0.33
CTSG P08311 1/20 0.33
HSD17B10 Q99714 1/20 0.33
AKT1 P31749 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2189191 1.00 TSHR (0.45) TSHRHSP90B1LMNAPPM1BPTPN1
SCHEMBL28833013 0.98 TSHR (0.44) TSHRHSP90B1LMNAPPM1BPTPN1
SCHEMBL29981924 0.98 TSHR (0.46) TSHRHSP90B1LMNAPPM1BPTPN1
SCHEMBL6666772 0.85 PPM1B (0.41) TSHRHSP90B1PPM1BPTPN1PPP1CC
SCHEMBL28475631 0.82 LGALS3 (0.33)
SCHEMBL27766467 0.82 AHCY (0.45) TSHRLMNAPPM1BPTPN1PPP1CC
SCHEMBL14317077 0.82 AHCY (0.45) TSHRLMNAPPM1BPTPN1PPP1CC
SCHEMBL27737603 0.81 LGALS3 (0.46) TSHRHSP90B1LMNAPPM1BPTPN1
SCHEMBL28214269 0.81 AHCY (0.34) HSP90B1
SCHEMBL19226382 0.80 TSHR (0.41) TSHRHSP90B1PPM1BPTPN1PPP1CC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343285-B1 Peptoid compounds useful as antibiotics UNIV WOLLONGONG (AU) 2015-02-25 EP disclosed
US-20120108499-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2012-05-03 US disclosed
EP-2343285-A2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2011-07-13 EP disclosed
US-20100167995-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2010-07-01 US disclosed
US-7612036-B2 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2009-11-03 US disclosed
EP-1412336-A4 PEPTOID COMPOUNDS UNIV WOLLONGONG (AU) 2007-08-29 EP disclosed
US-20070111927-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG (AU) 2007-05-17 US disclosed
US-7160854-B2 Binaphthyl peptidomimetics for treating vancomycin resistant Staphylococcus aureas infections UNIVERSITY OF WOLLONGONG (AU) 2007-01-09 US disclosed
US-20050043509-A1 Peptoid compounds UNIVERSITY OF WOLLONGONG 2005-02-24 US disclosed
EP-1358255-A4 POROUS POLYMERS BIO LAYER PTY LTD (AU) 2004-11-10 EP disclosed
US-20040138323-A1 Porous polymers BIO-LAYER PTY. LIMITED (AU) 2004-07-15 US disclosed
EP-1412336-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2004-04-28 EP disclosed
EP-1358255-A1 POROUS POLYMERS Polymerat Pty Ltd (AU) 2003-11-05 EP disclosed
WO-2003040218-A1 POROUS POLYMER FILMS POLYMERAT PTY LTD (AU) 2003-05-15 WO disclosed
WO-2003002545-A1 PEPTOID COMPOUNDS UNIVERSITY OF WOLLONGONG (AU) 2003-01-09 WO disclosed
WO-2002050174-A1 POROUS POLYMERS POLYMERAT PTY LTD (AU) 2002-06-27 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 (4 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-20120108499-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 TSHR 4240/4885HSP90B1 96/4885LMNA 4362/4885
US-20100167995-A1 PEPTOID COMPOUNDS VIP, FPR1, VIPR1 TSHR 4240/4885HSP90B1 96/4885LMNA 4362/4885
US-20070111927-A1 Peptoid compounds VIP, FPR1, VIPR1 TSHR 4240/4885HSP90B1 96/4885LMNA 4362/4885
US-20050043509-A1 Peptoid compounds VIP, FPR1, VIPR1 TSHR 4240/4885HSP90B1 96/4885LMNA 4362/4885

“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.