SCHEMBL2497060

SCHEMBL2497060

CC(C)C[C@H](C(=O)O)N(C)C(=O)OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.57
CTSB P07858 4/20 0.57
CTSS P25774 4/20 0.57
CTSL P07711 3/20 0.57
ABCB1 P08183 2/20 0.49
ITGB3 P05106 1/20 0.47
ITGA2B P08514 1/20 0.47
ALDH1A1 P00352 2/20 0.46
FOLH1 Q04609 1/20 0.44
MAPT P10636 1/20 0.43
HPGD P15428 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
SCHEMBL2300007 1.00 CTSK (0.57) CTSKCTSBCTSSCTSLABCB1
SCHEMBL7000046 1.00 CTSK (0.57) CTSKCTSBCTSSCTSLABCB1
Leucine SCHEMBL14693625 0.92 CTSK (0.52) CTSKCTSBCTSSCTSLABCB1
SCHEMBL16272898 0.91 CTSK (0.57) CTSKCTSBCTSSCTSLABCB1
Leucine SCHEMBL4294227 0.90 CTSK (0.50) CTSKCTSBCTSSCTSLABCB1
SCHEMBL26312471 0.90 CTSK (0.56) CTSKCTSBCTSSCTSLABCB1
SCHEMBL2302062 0.89 CTSK (0.49) CTSKCTSBCTSSCTSLABCB1
Leucine SCHEMBL2302063 0.89 CTSK (0.49) CTSKCTSBCTSSCTSLABCB1
SCHEMBL11306130 0.89 CTSK (0.58) CTSKCTSBCTSSCTSLABCB1
SCHEMBL11306127 0.89 CTSK (0.58) CTSKCTSBCTSSCTSLABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 US disclosed
US-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 US disclosed
US-8030279-B2 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2011-10-04 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
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-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 US disclosed
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA CENTER FOR TECHNOLOGY TRANSFER (US) 2007-06-28 US disclosed
CN-1819837-A TAMANDARIN analogs and fragments thereof and methods of making and using JOULLIE MADELEINE M (US) 2006-08-16 CN disclosed
EP-0956033-B1 TOTAL SYNTHESIS OF THE AMINO HIP ANALOGUE OF DIDEMNIN A UNIV ILLINOIS (US) 2003-07-23 EP disclosed
US-6380156-B1 HAVING ANTIVIRAL, ANTITUMOR, AND IMMUNOSUPPRESSIVE ACTIVITIES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLNOIS 2002-04-30 US disclosed
WO-1998017302-A9 TOTAL SYNTHESIS OF THE AMINO HIP ANALOGUE OF DIDEMNIN A 1998-10-15 WO 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-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS CTSK 3079/4885CTSB 2140/4885CTSS 3273/4885
US-20070149446-A1 Tamandarin analogs and fragments thereof and methods of making and using FOXM1, F3, RB1 CTSK 353/4885CTSB 743/4885CTSS 737/4885

“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.