SCHEMBL4385017

SCHEMBL4385017

[CH2]SCC(C)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 6/20 0.67
REN P00797 4/20 0.67
KDM4E B2RXH2 1/20 0.67
F2 P00734 1/20 0.67
LMNA P02545 1/20 0.67
LTA4H P09960 1/20 0.67
MAPT P10636 1/20 0.67
PEPD P12955 1/20 0.67
ALOX15 P16050 1/20 0.67
PTGS1 P23219 1/20 0.67
HTR2A P28223 1/20 0.67
PTGS2 P35354 1/20 0.67
HRH1 P35367 1/20 0.67
THPO P40225 1/20 0.67
PMP22 Q01453 1/20 0.67
HSD17B10 Q99714 1/20 0.67
ACE2 Q9BYF1 1/20 0.67
RAB9A P51151 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
SCHEMBL4385014 1.00 ACE (0.67) ACERENKDM4EF2LMNA
SCHEMBL11212417 0.91 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL5556548 0.91 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL6783588 0.91 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL8094713 0.91 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL2443468 0.91 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL683117 0.91 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL24359898 0.88 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL13368120 0.88 ACE (0.70) ACERENKDM4EF2LMNA
SCHEMBL4385020 0.88 ACE (0.70) ACERENKDM4EF2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629380-B2 Antitumor agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-12-08 US disclosed
US-7141603-B2 Antitumor agents THE REGENTS OF THE UNIVERSITY CALIFORNIA (US) 2006-11-28 US disclosed
US-20050250675-A1 Antitumor agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2005-11-10 US disclosed
US-6908918-B2 Antitumor agents REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-06-21 US disclosed
US-20040034202-A1 Antitumor agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-02-19 US disclosed
EP-1056704-B1 ANTITUMOR AGENTS UNIV CALIFORNIA (US) 2003-05-02 EP disclosed
US-6548679-B1 5-(Spirocyclopropane)inden-7-one derivative; anticarcinogenic agents for leukemia or lymphoma THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-04-15 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-20050250675-A1 Antitumor agents TP53, RB1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 ACE 3913/4885REN 319/4885KDM4E 2376/4885
US-20040034202-A1 Antitumor agents TP53, TPD52L2, RB1 ACE 3972/4885REN 422/4885KDM4E 2625/4885

“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.