SCHEMBL3046320

SCHEMBL3046320

CC(C)C[C@H](C(=O)OCc1ccccc1)N1C(=O)[C@@]2(CCCN2C(=O)OC(C)(C)C)CC1O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CTSL P07711 5/20 0.38
AVPR1A P37288 1/20 0.38
CTSK P43235 5/20 0.37
CTSS P25774 3/20 0.37

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
SCHEMBL4604125 1.00 GRIN2B (0.42) GRIN2BGRIN2CMEN1MAPTKMT2A
SCHEMBL14262421 0.87 GRIN2B (0.46) GRIN2BGRIN2CMEN1MAPTKMT2A
SCHEMBL17712395 0.80 GRIN2B (0.51) GRIN2BGRIN2CCTSL
SCHEMBL17712398 0.80 GRIN2B (0.51) GRIN2BGRIN2CCTSL
SCHEMBL19627478 0.76 GRIN2B (0.57) GRIN2BGRIN2CMEN1MAPTKMT2A
SCHEMBL17352433 0.76 GRIN2B (0.57) GRIN2BGRIN2CMEN1MAPTKMT2A
SCHEMBL19627469 0.76 GRIN2B (0.57) GRIN2BGRIN2CMEN1MAPTKMT2A
SCHEMBL20293883 0.76 GRIN2B (0.57) GRIN2BGRIN2CMEN1MAPTKMT2A
SCHEMBL14283166 0.75 AVPR1A (0.40) CTSLAVPR1ACTSKCTSS
SCHEMBL29557107 0.74 GRIN2B (0.51) GRIN2BGRIN2CALDH1A1

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 11 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
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 GRIN2B 2605/4885GRIN2C 3233/4885MEN1 630/4885
US-20080009435-A1 Synthetic methods for aplidine and new antitumoral derivatives, methods of making and using them MCL1, APLNR, PAICS GRIN2B 2925/4885GRIN2C 3786/4885MEN1 310/4885

“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.