SCHEMBL3147640

SCHEMBL3147640

CCOC(=O)C1(C(=O)O)CC(C)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 2/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 3/20 0.35
OPRM1 P35372 5/20 0.34
OPRD1 P41143 3/20 0.33
OPRK1 P41145 3/20 0.33
SLC22A1 O15245 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
KCNH2 Q12809 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL15927847 1.00 SMN1; SMN2 (0.35) SMN1; SMN2GAALMNAKDM4EMEN1
SCHEMBL15927846 1.00 SMN1; SMN2 (0.35) SMN1; SMN2GAALMNAKDM4EMEN1
SCHEMBL12030067 0.90 ALDH1A1 (0.39) SMN1; SMN2GAALMNAKDM4EMEN1
SCHEMBL17172717 0.85 LMNA (0.38) SMN1; SMN2GAALMNAKDM4EMEN1
SCHEMBL4291628 0.85 SMN1; SMN2 (0.35) SMN1; SMN2GAALMNAKDM4EMEN1
SCHEMBL1964295 0.85 SMN1; SMN2 (0.35) SMN1; SMN2GAALMNAKDM4EMEN1
SCHEMBL28017152 0.83 ALOX15 (0.35) SMN1; SMN2GAALMNAKDM4EMEN1
Hydrochloric Acid SCHEMBL27282843 0.82 CYP1A2 (0.44) SMN1; SMN2LMNAKDM4EMAPTPOLB
SCHEMBL32676486 0.81 SMN1; SMN2 (0.34) SMN1; SMN2GAALMNAKDM4EMEN1
SCHEMBL8050020 0.80 SMN1; SMN2 (0.33) SMN1; SMN2GAALMNAKDM4EMEN1

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
EP-2496556-B1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2018-12-26 EP disclosed
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2017-02-16 US disclosed
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC (JP) 2016-02-18 US disclosed
US-20140221380-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2014-08-07 US disclosed
US-20140221378-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR JAPAN TOBACCO INC. (JP) 2014-08-07 US disclosed
US-20100074867-A1 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-03-25 US disclosed
US-20100074867-A1 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-03-25 US disclosed
US-20100074867-A1 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE Schering Corporation Patent Department, K-6-1; 1990 (US) 2010-03-25 US disclosed
EP-2139854-A2 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE SCHERING CORPORATION (US) 2010-01-06 EP disclosed
WO-2009008913-A2 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE SCHERING CORPORATION (US) 2009-01-15 WO disclosed
WO-2009008913-A2 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE SCHERING CORPORATION (US) 2009-01-15 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-20100074867-A1 P1-NONEPIMERIZABLE KETOAMIDE INHIBITORS OF HCV NS3 PROTEASE CTRL, PREP, CES1 SMN1; SMN2 3374/4885GAA 151/4885LMNA 2992/4885
US-20140221380-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 SMN1; SMN2 3434/4885GAA 1444/4885LMNA 3587/4885
US-20160046641-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 SMN1; SMN2 3249/4885GAA 1587/4885LMNA 3326/4885
US-20140221378-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND PHARMACEUTICAL USE OF SAME AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, IMPA1 SMN1; SMN2 3538/4885GAA 1810/4885LMNA 3062/4885
US-20170044156-A1 SUBSTITUTED SPIROPYRIDO[1,2-a]PYRAZINE DERIVATIVE AND MEDICINAL USE THEREOF AS HIV INTEGRASE INHIBITOR IMPDH1, IMPDH2, SAV1 SMN1; SMN2 3477/4885GAA 2174/4885LMNA 2905/4885

“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.