SCHEMBL6531013

SCHEMBL6531013

CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.43
MMP13 P45452 2/20 0.43
MMP9 P14780 1/20 0.43
KLK5 Q9Y337 1/20 0.43
ELANE P08246 1/20 0.41
MGLL Q99685 2/20 0.40
DRD2 P14416 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
FAP Q12884 1/20 0.40
ACE P12821 1/20 0.40
ADAM17 P78536 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL6605416 0.88 FKBP1A (0.49) KLK5ALDH1A1KMT2AMEN1TSHR
SCHEMBL7359670 0.86 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1TSHRCYP1A2
SCHEMBL11349826 0.81 ELANE (0.52) ELANEALDH1A1MAPT
SCHEMBL30119875 0.80 CYP1A2 (0.46) MGLLALDH1A1KMT2AMEN1DPP4
SCHEMBL29703825 0.79 F2 (0.40) ALDH1A1KMT2ADPP4DPP8DPP7
SCHEMBL10706625 0.79 CYP1A2 (0.48) ALDH1A1KMT2AMEN1CYP1A2CYP2D6
SCHEMBL6468703 0.79 KLK5 (0.53) MMP1MMP13MMP9KLK5ALDH1A1
SCHEMBL14235217 0.79 KLK5 (0.53) MMP1MMP13MMP9KLK5ALDH1A1
SCHEMBL6160675 0.78 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1TSHRCYP1A2
SCHEMBL7068808 0.78 BCL9 (0.56) MGLLALDH1A1KMT2ACYP1A2LMNA

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 11 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-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 MMP1 4065/4885MMP13 3901/4885MMP9 4452/4885
US-20050208480-A1 aPL immunoreactive peptides, conjugates thereof and methods of treatment for aPL antibody-mediated pathologies CD4, VSIG8, PTMS MMP1 4065/4885MMP13 3901/4885MMP9 4452/4885

“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.