SCHEMBL3042987

SCHEMBL3042987

CC(C)C[C@H](C(=O)OCc1ccccc1)N1CC[C@]2(CCCN2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
CTSK P43235 3/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSS P25774 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AVPR1A P37288 1/20 0.37
FKBP1A P62942 1/20 0.37
ACE2 Q9BYF1 1/20 0.36

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
SCHEMBL14283166 0.83 AVPR1A (0.40) CTSKCTSLCTSBCTSSAVPR1A
SCHEMBL9733714 0.83 POLB (0.33) ADAM17MMP2MMP9
SCHEMBL9733710 0.83 POLB (0.33) ADAM17MMP2MMP9
SCHEMBL1527328 0.81 SMN1; SMN2 (0.34) ADAM17MMP2MMP9
SCHEMBL1527326 0.81 SMN1; SMN2 (0.34) ADAM17MMP2MMP9
SCHEMBL13059971 0.79 SLC6A2 (0.33)
SCHEMBL9733830 0.78 SMN1; SMN2 (0.34) ADAM17MMP2MMP9
SCHEMBL13429355 0.78 SLC6A2 (0.30)
SCHEMBL3054791 0.77 NTSR1 (0.40)
SCHEMBL17712401 0.76 ALDH1A1 (0.36)

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 12 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-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-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
EP-1294747-B1 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR SA (ES) 2008-04-30 EP disclosed
EP-1294747-B1 SYNTHETIC METHODS FOR APLIDINE AND NEW ANTITUMORAL DERIVATIVES, METHODS OF MAKING AND USING THEM PHARMA MAR SA (ES) 2008-04-30 EP 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-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-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
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
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
US-20040097413-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them PHARMA MAR, S.A. (ES) 2004-05-20 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-20040097413-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, PML, APLNR ADAM17 2249/4885MMP2 3416/4885MMP9 3174/4885
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS ADAM17 1770/4885MMP2 2722/4885MMP9 3316/4885

“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.