SCHEMBL3986818

SCHEMBL3986818

CC(C(N)=O)C(=O)N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
PKM P14618 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP8 P22894 1/20 0.44
MAPT P10636 2/20 0.43
TSHR P16473 2/20 0.43
ALDH1A1 P00352 2/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL7375349 0.82 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL14744099 0.81 DPP7 (0.42) GAAKMT2AMMP1MMP3MMP8
SCHEMBL14396537 0.79 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL6165804 0.79 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL5436113 0.79 SMN1; SMN2 (0.50) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL738198 0.79 SMN1; SMN2 (0.54) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL24322495 0.78 SMN1; SMN2 (0.54) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL3062998 0.78 MMP1 (0.45) SMN1; SMN2PKMCYP3A4CYP2C19GAA
SCHEMBL3068967 0.78 MMP1 (0.45) SMN1; SMN2PKMCYP3A4CYP2C19GAA
Hydrochloric Acid SCHEMBL318913 0.78 SMN1; SMN2 (0.48) SMN1; SMN2PKMCYP3A4CYP2C19GAA

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
EP-1971333-A4 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS SCRIPPS RESEARCH INST (US) 2009-05-20 EP disclosed
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS LIANG CONGXIN 2009-03-12 US disclosed
US-20080269212-A1 Amino acid derivatives of indolinone based protein kinase inhibitors THE SCRIPPS RESEARCH INSTITUTE (US) 2008-10-30 US disclosed
EP-1971333-A2 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS The Scripps Research Institute (US) 2008-09-24 EP disclosed
WO-2007081560-A2 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS THE SCRIPPS RESEARCH INSTITUTE (US) 2007-07-19 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-20080269212-A1 Amino acid derivatives of indolinone based protein kinase inhibitors PHKG1, MAP3K20, MKNK1 SMN1; SMN2 4054/4885PKM 671/4885CYP3A4 4435/4885
US-20090068718-A1 AMINO ACID DERIVATIVES OF INDOLINONE BASED PROTEIN KINASE INHIBITORS PHKG1, MAP3K20, MKNK1 SMN1; SMN2 4054/4885PKM 671/4885CYP3A4 4435/4885

“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.