SCHEMBL13413249

SCHEMBL13413249

CC(C)C[C@H](NCl)C(=O)N1CCC[C@H]1C(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 11/20 0.58
ACE P12821 2/20 0.51
REN P00797 1/20 0.50
LMNA P02545 1/20 0.48
CTSK P43235 3/20 0.48
CTSL P07711 2/20 0.48
CTSS P25774 2/20 0.48
ACE2 Q9BYF1 1/20 0.48
PREP P48147 1/20 0.48

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
SCHEMBL28349215 0.90 FKBP1A (0.56) FKBP1AACERENCTSKCTSL
SCHEMBL15251714 0.88 FKBP1A (0.54) FKBP1AACERENCTSKCTSL
SCHEMBL15251803 0.88 ACE (0.59) FKBP1AACEACE2
SCHEMBL15251802 0.88 ACE (0.59) FKBP1AACEACE2
SCHEMBL15251713 0.88 FKBP1A (0.54) FKBP1AACERENCTSKCTSL
SCHEMBL13413216 0.87 FKBP1A (0.53) FKBP1AACERENCTSKCTSL
SCHEMBL15251676 0.86 FKBP1A (0.52) FKBP1AACERENLMNACTSK
SCHEMBL15251724 0.86 FKBP1A (0.52) FKBP1AACEREN
SCHEMBL12191559 0.86 FKBP1A (0.52) FKBP1AACERENCTSKCTSL
SCHEMBL15251708 0.86 FKBP1A (0.52) FKBP1AACEREN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678765-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2010-03-16 US disclosed
US-7348310-B2 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2008-03-25 US disclosed
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A., A SPAIN CORPORATION 2008-01-10 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 (1 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-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS FKBP1A 3393/4885ACE 2441/4885REN 2883/4885

“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.