SCHEMBL4289710

SCHEMBL4289710

Cc1cc(C)c(S(=O)(=O)NC(=O)OC(C)(C)C)c(C)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.51
CA2 P00918 2/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
F2 P00734 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL14810148 0.81 CA1 (0.56) CA1CA2MMP1MMP2MMP9
SCHEMBL28298275 0.79 GAA (0.59) CA1MAPTRAB9APOLBGAA
SCHEMBL25047 0.78 NFKB1 (0.42) CA1CA2MMP1MMP2MMP9
SCHEMBL23846018 0.77 NFKB1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL17308770 0.77 FABP4 (0.49) CA1CA2MMP1MMP2MMP9
SCHEMBL29188855 0.77 CA1 (0.64) CA1CA2MMP1MMP2MMP9
SCHEMBL28280979 0.76 CA12 (0.42) CA1CA2CA12CA14CA7
SCHEMBL7982641 0.76 CA1 (0.40) CA1CA2MMP1MMP2MMP9
SCHEMBL9176627 0.75 CA1 (0.62) CA1CA2MMP1MMP2MMP9
SCHEMBL497667 0.75 NFKB1 (0.53) CA1CA2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES PROGEN PHARMACEUTICALS, INC. 2009-11-05 US disclosed
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CELLGATE, INC. 2008-08-14 US disclosed
US-7312244-B2 Polyamine analog-amino acid conjugates useful as anticancer agents CELLGATE, INC. (US) 2007-12-25 US disclosed
US-7279502-B2 Polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. (US) 2007-10-09 US disclosed
US-20070161692-A1 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. (US) 2007-07-12 US disclosed
US-7186825-B2 Conformationally restricted polyamine analogs as disease therapies CELLGATE, INC. (US) 2007-03-06 US disclosed
EP-1698629-A2 Polyamines and their use in therapy Cellgate, Inc. (US) 2006-09-06 EP disclosed
US-7094808-B2 Analogs of biologically active, naturally occurring polyamines, pharmaceutical compositions and methods of treatment UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2006-08-22 US disclosed
EP-1177197-B1 POLYAMINES AND THEIR USE IN THERAPY CELLGATE INC (US) 2006-08-09 EP disclosed
US-20050233943-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CELLGATE, INC. 2005-10-20 US disclosed
EP-1337504-A2 NOVEL POLYAMINE ANALOG-AMINO ACID CONJUGATES USEFUL AS ANTICANCER AGENTS Slil Biomedical Corporation (US) 2003-08-27 EP disclosed
US-20030100615-A1 Analogs of biologically active, naturally occurring polyamines, pharmaceutical compositions and methods of treatment BERGERON RAYMOND J (US) 2003-05-29 US disclosed
WO-2002091989-A2 ANTIVIRAL THERAPIES USING POLYAMINE OR POLYAMINE ANALOG-AMINO ACID CONJUGATES SLIL BIOMEDICAL CORPORATION (US) 2002-11-21 WO disclosed
US-20020143068-A1 Analogs of biologically active, naturally occurring polyamines, pharmaceutical compositions and methods of treatment BERGERON RAYMOND J (US) 2002-10-03 US disclosed
WO-2002038105-A2 NOVEL POLYAMINE ANALOG-AMINO ACID CONJUGATES USEFUL AS ANTICANCER AGENTS SLIL BIOMEDICAL CORPORATION (US) 2002-05-16 WO disclosed
US-6342534-B1 BRIDGING GROUPS MAINTAIN DISTANCE BETWEEN NITROGEN ATOMS BINDING VIA ELECTROSTATIC INTERACTION TO COUNTER-ANIONS; ANTITUMOR,ANTICARCINOGENIC AGENTS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2002-01-29 US disclosed
EP-1173223-A2 CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES Slil Biomedical Corporation (US) 2002-01-23 EP disclosed
US-6184232-B1 AMINE ADDUCT WHICH COMPETETIVELY BINDS WITH TARGET CELL COUNTERION AND FUNCTIONS DIFFERENTLY COMPARED TO NATURAL INTRACELLULAR POLYAMINES; ANTICARCINOGENIC AGENTS UNIVERSITY OF FLORIDA 2001-02-06 US disclosed
WO-2000066175-A2 CONJUGATES AS THERAPIES FOR CANCER AND PROSTATE DISEASES SLIL BIOMEDICAL CORPORATION (US) 2000-11-09 WO disclosed
US-5886051-A MODULATORS OF THE N-METHYLASPARTIC ACID RECEPTOR; AGONISTS AND ANTAGONISTS; ALZHEIMER'S DISEASE; COGNITION ACTIVATORS; ACYCLIC AND CYCLIC COMPOUNDS HAVING TWO OR MORE SECONDARY AMINES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1999-03-23 US 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 (6 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-20030100615-A1 Analogs of biologically active, naturally occurring polyamines, pharmaceutical compositions and methods of treatment SLC7A1, SRM, SLC1A5 CA1 772/4885CA2 433/4885MMP1 2891/4885
US-20070161692-A1 Conformationally restricted polyamine analogs as disease therapies SRM, PYCR1, PAICS CA1 3306/4885CA2 4601/4885MMP1 3970/4885
US-20080194697-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, KLK3, FOLH1 CA1 1706/4885CA2 3451/4885MMP1 1849/4885
US-20020143068-A1 Analogs of biologically active, naturally occurring polyamines, pharmaceutical compositions and methods of treatment SLC7A1, SRM, SLC1A5 CA1 772/4885CA2 433/4885MMP1 2891/4885
US-20050233943-A1 Novel polyamine analog conjugates and quinone conjugates as therapies for cancers and prostate diseases CTSB, CTSL, CTSV CA1 1486/4885CA2 3220/4885MMP1 1468/4885
US-20090275664-A1 NOVEL POLYAMINE ANALOG CONJUGATES AND QUINONE CONJUGATES AS THERAPIES FOR CANCERS AND PROSTATE DISEASES CTSB, CTSL, CTSV CA1 1486/4885CA2 3220/4885MMP1 1468/4885

“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.