SCHEMBL3074341

SCHEMBL3074341

O=C(O)N(O)CCC(=O)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 4/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ POLB P06746 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ GLA P06280 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ ALOX15 P16050 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GAA P10253 3/20 0.40

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
SCHEMBL30272382 0.78 TSHR (0.53) FKBP1AL3MBTL1POLBTSHRGLA
SCHEMBL9715182 0.76 FKBP1A (0.46) FKBP1AL3MBTL1POLBTSHRGLA
SCHEMBL21679696 0.75 TSHR (0.54) FKBP1AL3MBTL1POLBTSHRGLA
SCHEMBL4297789 0.75 POLB (0.58) FKBP1AL3MBTL1POLBTSHRGLA
SCHEMBL9415751 0.74 GLA (0.67) FKBP1AL3MBTL1POLBTSHRGLA
SCHEMBL3736506 0.74 TSHR (0.57) FKBP1AL3MBTL1POLBTSHRGLA
SCHEMBL14079960 0.74 TSHR (0.53) FKBP1AL3MBTL1POLBTSHRGLA
SCHEMBL3404224 0.72 L3MBTL1 (0.63) FKBP1AL3MBTL1POLBTSHRGLA
SCHEMBL7694058 0.72 GLA (0.65) FKBP1AL3MBTL1POLBTSHRGLA
SCHEMBL5778349 0.72 L3MBTL1 (0.57) FKBP1AL3MBTL1POLBTSHRGLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100267719-A1 Enhanced Indolinone Based Protein Kinase Inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2010-10-21 — — US disclosed
EP-1893194-A4 ENHANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2009-07-01 — — EP disclosed
EP-1893194-A1 ENHANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2008-03-05 — — EP disclosed
US-20060287381-A1 Enhanced indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2006-12-21 — — US disclosed
WO-2006127961-A1 ENHANCED INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2006-11-30 — — 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-20060287381-A1 Enhanced indolinone based protein kinase inhibitors PHKG1, PHKG2, PRKCH FKBP1A 952/4885L3MBTL1 2815/4885POLB 2296/4885
US-20100267719-A1 Enhanced Indolinone Based Protein Kinase Inhibitors PHKG1, PHKG2, PRKCH FKBP1A 1308/4885L3MBTL1 2856/4885POLB 2420/4885

“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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