SCHEMBL5963420

SCHEMBL5963420

Cc1cc(C)c(S(=O)(=O)NCC2CCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c(C)c1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.60
EBP Q15125 5/20 0.56
DHCR7 Q9UBM7 5/20 0.56
KMT2A Q03164 4/20 0.55
NPSR1 Q6W5P4 1/20 0.54
MEN1 O00255 3/20 0.53
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL7925677 0.80 EBP (0.61) EPHX2EBPDHCR7KMT2ANPSR1
SCHEMBL22032774 0.80 ALDH1A1 (0.62) EPHX2EBPDHCR7KMT2ANPSR1
SCHEMBL22032742 0.77 ALDH1A1 (0.63) EPHX2EBPDHCR7KMT2ANPSR1
SCHEMBL22033858 0.77 EPHX2 (0.62) EPHX2EBPDHCR7NPSR1ALDH1A1
SCHEMBL22032778 0.76 EBP (0.69) EPHX2EBPDHCR7KMT2ANPSR1
SCHEMBL28079095 0.76 EBP (0.57) EPHX2EBPDHCR7KMT2ANPSR1
SCHEMBL10019216 0.75 EPHX2 (1.00) EPHX2
SCHEMBL5362423 0.74 EPHX2 (0.62) EPHX2
SCHEMBL22033211 0.74 EPHX2 (0.68) EPHX2EBPDHCR7NPSR1
SCHEMBL4746087 0.74 KMT2A (0.53) KMT2AMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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
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
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
US-5843959-A Methods and bicyclic polyamine compositions for the treatment of inflammation UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 1998-12-01 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 (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-20030100615-A1 Analogs of biologically active, naturally occurring polyamines, pharmaceutical compositions and methods of treatment SLC7A1, SRM, SLC1A5 EPHX2 3990/4885EBP 939/4885DHCR7 3465/4885
US-20020143068-A1 Analogs of biologically active, naturally occurring polyamines, pharmaceutical compositions and methods of treatment SLC7A1, SRM, SLC1A5 EPHX2 3990/4885EBP 939/4885DHCR7 3465/4885

“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.