SCHEMBL4219541

SCHEMBL4219541

Cc1nc(NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)OC2CCCC2)sc1-c1ccc(Cl)c(S(C)(=O)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 7/20 0.47
▸ PIK3CG P48736 7/20 0.47
▸ PI4KB Q9UBF8 13/20 0.46
▸ PIK3CA P42336 3/20 0.44
▸ PIK3CB P42338 3/20 0.44
▸ PIK3C2G O75747 2/20 0.44
▸ PIK3C3 Q8NEB9 3/20 0.42
▸ PIK3C2A O00443 1/20 0.42
▸ PIK3C2B O00750 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ PRKDC P78527 1/20 0.42

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
SCHEMBL4219543 1.00 PIK3CD (0.47) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL8257887 0.91 PIK3CD (0.49) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL14385599 0.88 PIK3CD (0.49) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL14385602 0.88 PIK3CD (0.49) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL4232065 0.88 PIK3CD (0.49) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL4232068 0.88 PIK3CD (0.49) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL4228121 0.86 PIK3CD (0.51) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL14385580 0.86 PIK3CD (0.51) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL4228117 0.86 PIK3CD (0.51) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL3167806 0.85 PIK3CD (0.48) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-11-25 — — US disclosed
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-11-25 — — US disclosed
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 — — EP disclosed
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2019-08-01 — — US disclosed
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LTD. (GB) 2019-08-01 — — US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 — — US disclosed
US-20180000952-A1 ENZYME AND RECEPTOR MODULATION CHROMA THERAPEUTICS LIMITED (GB) 2018-01-04 — — US disclosed
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 — — EP disclosed
EP-1964577-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GLAXOSMITHKLINE IP DEV LTD (GB) 2016-04-13 — — EP disclosed
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-05-07 — — US disclosed
EP-1877098-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2013-04-24 — — EP disclosed
EP-1877098-B1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2013-04-24 — — EP disclosed
US-20090215800-A1 Enzyme and Receptor Modulation CHROMA THERAPEUTICS LTD (GB) 2009-08-27 — — US disclosed
US-20090215800-A1 Enzyme and Receptor Modulation CHROMA THERAPEUTICS LTD (GB) 2009-08-27 — — US disclosed
EP-1964578-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 — — EP disclosed
EP-1964577-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 — — EP disclosed
EP-1964577-A2 Alpha aminoacid ester-drug conjugates hydrolysable by carboxylesterase Chroma Therapeutics Limited (GB) 2008-09-03 — — EP disclosed
EP-1877098-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE Chroma Therapeutics Limited (GB) 2008-01-16 — — EP disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 — — WO disclosed
WO-2006117567-A2 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE CHROMA THERAPEUTICS LTD (GB) 2006-11-09 — — 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 (5 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-20180000952-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP PIK3CD 2423/4885PIK3CG 2786/4885PI4KB 1420/4885
US-20090215800-A1 Enzyme and Receptor Modulation CES1, HCAR1, DNPEP PIK3CD 2423/4885PIK3CG 2786/4885PI4KB 1420/4885
US-20210361772-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP PIK3CD 2423/4885PIK3CG 2786/4885PI4KB 1420/4885
US-20190231887-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP PIK3CD 2423/4885PIK3CG 2786/4885PI4KB 1420/4885
US-20150126534-A1 ENZYME AND RECEPTOR MODULATION CES1, HCAR1, DNPEP PIK3CD 2423/4885PIK3CG 2786/4885PI4KB 1420/4885

“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.

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