SCHEMBL4091245

SCHEMBL4091245

C[C@H](N=Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MIF P14174 3/20 0.40
AAK1 Q2M2I8 1/20 0.40
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RECQL P46063 2/20 0.38
NPC1 O15118 1/20 0.38
PLA2G7 Q13093 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ALDH1A1 P00352 3/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL4091240 1.00 MAPT (0.40) MAPTMIFAAK1RAB9ASMN1; SMN2
SCHEMBL8667692 1.00 MAPT (0.40) MAPTMIFAAK1RAB9ASMN1; SMN2
SCHEMBL11374315 0.88 PTGS2 (0.40) MAPTAAK1RAB9ASMN1; SMN2NPC1
SCHEMBL9078939 0.85 MIF (0.40) MAPTMIFRAB9ASMN1; SMN2RECQL
SCHEMBL9077488 0.85 MIF (0.40) MAPTMIFRAB9ASMN1; SMN2RECQL
SCHEMBL9077491 0.85 MIF (0.40) MAPTMIFRAB9ASMN1; SMN2RECQL
SCHEMBL12865426 0.85 MIF (0.40) MAPTMIFRAB9ASMN1; SMN2RECQL
SCHEMBL4092065 0.83 KDM4E (0.45) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4092067 0.83 KDM4E (0.45) SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL11119176 0.82 MIF (0.45) MAPTMIFAAK1RECQLMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090221640-A1 Novel Crystal Modifications ASTRAZENECA AB (SE) 2009-09-03 US disclosed
EP-2064202-A2 A NEW CRYSTALLINE FORM G OF (5S)-5-[4-(5-CHLORO-PYRIDIN-2-YLOXY)-PIPERIDINE-1-SULFONYL-METHYL]-5-METHYL-IMIDAZOLIDINE-2,4-DIONE (I) AND INTERMEDIATES THEREOF. AstraZeneca AB (SE) 2009-06-03 EP disclosed
WO-2007106022-A2 A NEW CRYSTALLINE FORM G OF (5S) -5- [4- (5-CHLORO-PYRIDIN-2- YLOXY) -PIPERIDINE-1-SULFONYLMETHYL] - 5 -METHYL -IMIDAZOLIDINE - 2,4-DIONE (I) AND INTERMEDIATES THEREOF. ASTRAZENECA AB (SE) 2007-09-20 WO disclosed
US-5780498-A PEPTIDE DERIVATIVES FOR CARDIOVASCULAR AND BRAIN DISORDERS CIBA-GEIGY JAPAN LIMITED (JP) 1998-07-14 US disclosed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP disclosed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO disclosed
US-4352752-A Process for the preparation of dipeptides SAGAMI CHEMICAL RESEARCH CENTER (JP) 1982-10-05 US disclosed
EP-0035743-A1 Process for the preparation of dipeptides SAGAMI CHEMICAL RESEARCH CENTER (JP) 1981-09-16 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 (1 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-20090221640-A1 Novel Crystal Modifications PTMS, NT5C, CDK5 MAPT 968/4885MIF 4247/4885AAK1 2719/4885

“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.