SCHEMBL6517147

SCHEMBL6517147

CC(C)(C)SSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(N)=O

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.47
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
KMT2A Q03164 1/20 0.46
SLC17A5 Q9NRA2 1/20 0.44
PTPN1 P18031 3/20 0.44

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
SCHEMBL13253077 0.91 CASP3 (0.48) CASP3MDM4TP53KMT2ASLC17A5
SCHEMBL10020438 0.90 MDM4 (0.54) CASP3MDM4TP53SLC17A5
SCHEMBL1739174 0.90 MDM4 (0.54) CASP3MDM4TP53SLC17A5
SCHEMBL27129147 0.89 MDM4 (0.49) CASP3MDM4TP53KMT2ASLC17A5
SCHEMBL27008576 0.89 MDM4 (0.49) CASP3MDM4TP53KMT2ASLC17A5
SCHEMBL1740641 0.86 CASP3 (0.44) CASP3MDM4TP53KMT2ASLC17A5
SCHEMBL31197005 0.84 MDM4 (0.54) CASP3MDM4TP53SLC17A5
SCHEMBL29445618 0.84 CASP3 (0.53) CASP3MDM4TP53KMT2A
SCHEMBL12510996 0.84 CASP3 (0.53) CASP3MDM4TP53KMT2A
SCHEMBL588375 0.83 MDM4 (0.44) CASP3MDM4TP53SLC17A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050208480-A1 aPL immunoreactive peptides, conjugates thereof and methods of treatment for aPL antibody-mediated pathologies VICTORIA EDWARD J 2005-09-22 US disclosed
US-20040009904-A1 APL immunoreactive peptides, conjugates thereof and methods of treatment for aPL antibody-mediated pathologies VICTORIA EDWARD JESS (US) 2004-01-15 US disclosed
US-6410775-B1 HYDROPHILIC COUPLING LA JOLLA PHARMACEUTICAL COMPANY 2002-06-25 US disclosed
US-6207160-B1 POLYPEPTIDES LA JOLLA PHARMACEUTICAL COMPANY 2001-03-27 US disclosed
EP-0954531-A1 aPL IMMUNOREACTIVE PEPTIDES, CONJUGATES THEREOF AND METHODS OF TREATMENT FOR aPL ANTIBODY-MEDIATED PATHOLOGIES Lajolla Pharmaceutical Company (US) 1999-11-10 EP disclosed
EP-0833648-A4 aPL IMMUNOREACTIVE PEPTIDES, CONJUGATES THEREOF AND METHODS OF TREATMENT FOR aPL ANTIBODY-MEDIATED PATHOLOGIES JOLLA PHARMA (US) 1999-10-13 EP disclosed
EP-0954531-A4 aPL IMMUNOREACTIVE PEPTIDES, CONJUGATES THEREOF AND METHODS OF TREATMENT FOR aPL ANTIBODY-MEDIATED PATHOLOGIES LAJOLLA PHARMACEUTICAL COMPANY (US) 1999-08-31 EP disclosed
WO-1997046251-A9 aPL IMMUNOREACTIVE PEPTIDES, CONJUGATES THEREOF AND METHODS OF TREATMENT FOR aPL ANTIBODY-MEDIATED PATHOLOGIES 1998-06-04 WO disclosed
EP-0833648-A1 aPL IMMUNOREACTIVE PEPTIDES, CONJUGATES THEREOF AND METHODS OF TREATMENT FOR aPL ANTIBODY-MEDIATED PATHOLOGIES LA JOLLA PHARMACEUTICAL (US) 1998-04-08 EP disclosed
WO-1997046251-A1 aPL IMMUNOREACTIVE PEPTIDES, CONJUGATES THEREOF AND METHODS OF TREATMENT FOR aPL ANTIBODY-MEDIATED PATHOLOGIES LAJOLLA PHARMACEUTICAL COMPANY (US) 1997-12-11 WO disclosed
WO-1996040197-A9 aPL IMMUNOREACTIVE PEPTIDES, CONJUGATES THEREOF AND METHODS OF TREATMENT FOR aPL ANTIBODY-MEDIATED PATHOLOGIES 1997-04-24 WO disclosed
WO-1996040197-A1 aPL IMMUNOREACTIVE PEPTIDES, CONJUGATES THEREOF AND METHODS OF TREATMENT FOR aPL ANTIBODY-MEDIATED PATHOLOGIES LA JOLLA PHARMACEUTICAL COMPANY (US) 1996-12-19 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 (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-20040009904-A1 APL immunoreactive peptides, conjugates thereof and methods of treatment for aPL antibody-mediated pathologies CD4, VSIG8, PTMS CASP3 2653/4885MDM4 3152/4885TP53 1078/4885
US-20050208480-A1 aPL immunoreactive peptides, conjugates thereof and methods of treatment for aPL antibody-mediated pathologies CD4, VSIG8, PTMS CASP3 2653/4885MDM4 3152/4885TP53 1078/4885

“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.