SCHEMBL2487959

SCHEMBL2487959

CCC[C@H](NC(=O)CC)C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.48
TAS1R1 Q7RTX1 5/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
HDAC2 Q92769 1/20 0.43
CYP2C9 P11712 2/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
KMT2A Q03164 2/20 0.41
POLB P06746 1/20 0.41
ZDHHC7 Q9NXF8 1/20 0.39
BIRC2 Q13490 2/20 0.38

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
SCHEMBL2487219 1.00 TAS1R3 (0.48) TAS1R3TAS1R1L3MBTL1HDAC2CYP2C9
SCHEMBL13913176 1.00 TAS1R3 (0.48) TAS1R3TAS1R1L3MBTL1HDAC2CYP2C9
SCHEMBL19085542 0.87 ZDHHC7 (0.51) TAS1R3TAS1R1HDAC2CA1CA2
SCHEMBL28643597 0.85 TAS1R3 (0.46) TAS1R3TAS1R1L3MBTL1HDAC2CYP2C9
SCHEMBL15107352 0.85 TAS1R3 (0.46) TAS1R3TAS1R1L3MBTL1HDAC2CYP2C9
SCHEMBL10218991 0.85 TAS1R3 (0.49) TAS1R3TAS1R1L3MBTL1HDAC2CYP2C9
SCHEMBL10218987 0.85 TAS1R3 (0.49) TAS1R3TAS1R1L3MBTL1HDAC2CYP2C9
SCHEMBL28648395 0.85 L3MBTL1 (0.49) TAS1R3TAS1R1L3MBTL1HDAC2CYP2C9
SCHEMBL14047527 0.83 CYP2C9 (0.43) TAS1R3TAS1R1L3MBTL1HDAC2CYP2C9
SCHEMBL13660497 0.83 L3MBTL1 (0.56) L3MBTL1HDAC2CYP2C9CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178686-B2 Process for preparing optically active aminopentane derivative, intermediate and process for preparing intermediate FUJIMOTO CO., LTD. (JP) 2012-05-15 US disclosed
EP-1905760-B1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINOPENTANE DERIVATIVE, INTERMEDIATE IN THE PROCESS AND PROCESS FOR PRODUCTION OF THE INTERMEDIATE FUJIMOTO CO LTD (JP) 2011-10-26 EP disclosed
US-20100324300-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE AMINOPENTANE DERIVATIVE, INTERMEDIATE AND PROCESS FOR PREPARING INTERMEDIATE YONEDA FUMIO 2010-12-23 US disclosed
US-7807840-B2 Process for preparing optically active aminopentane derivative, intermediate and process for preparing intermediate FUJIMOTO CO., LTD. (JP) 2010-10-05 US disclosed
US-20090124813-A1 Process for Preparing Optically Active Aminopentane Derivative, Intermediate and Process for Preparing Intermediate FUJIMOTO CO., LTD. (JP) 2009-05-14 US disclosed
EP-1905760-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE AMINOPENTANE DERIVATIVE, INTERMEDIATE IN THE PROCESS AND PROCESS FOR PRODUCTION OF THE INTERMEDIATE Fujimoto Co., Ltd. (JP) 2008-04-02 EP 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-20090124813-A1 Process for Preparing Optically Active Aminopentane Derivative, Intermediate and Process for Preparing Intermediate API5, CASP5, BAD TAS1R3 4524/4885TAS1R1 4287/4885L3MBTL1 3622/4885
US-20100324300-A1 PROCESS FOR PREPARING OPTICALLY ACTIVE AMINOPENTANE DERIVATIVE, INTERMEDIATE AND PROCESS FOR PREPARING INTERMEDIATE API5, CASP5, BAD TAS1R3 4524/4885TAS1R1 4287/4885L3MBTL1 3622/4885

“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.