SCHEMBL1606138

SCHEMBL1606138

C=CCCCCOS(C)(=O)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.65
ALDH1A1 P00352 3/20 0.65
LMNA P02545 2/20 0.65
KDM4E B2RXH2 1/20 0.65
USP2 O75604 1/20 0.65
MMP9 P14780 1/20 0.65
ALOX15 P16050 1/20 0.65
CA2 P00918 11/20 0.43
CA9 Q16790 11/20 0.43
LPAR3 Q9UBY5 2/20 0.42
LPAR2 Q9HBW0 1/20 0.42
CA1 P00915 10/20 0.36
CA12 O43570 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA6 P23280 2/20 0.34
CA5A P35218 2/20 0.34
CA7 P43166 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA5B Q9Y2D0 2/20 0.34

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
SCHEMBL9432188 0.98 TSHR (0.62) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL8723938 0.98 TSHR (0.62) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL11176516 0.98 TSHR (0.62) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL20495987 0.98 TSHR (0.62) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL1606611 0.98 TSHR (0.62) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL6621065 0.93 ALDH1A1 (0.61) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL2241904 0.91 TSHR (0.54) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL11250193 0.88 LMNA (0.50) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL11250191 0.88 LMNA (0.50) TSHRALDH1A1LMNAKDM4EUSP2
SCHEMBL13812658 0.87 ALDH1A1 (0.48) TSHRALDH1A1LMNAKDM4EUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100528829-C Metathesis synthesis of pheromones or components thereof R L PEDERSON R H GRUBBS (US) 2009-08-19 CN claimed
WO-2015006740-A2 OLIGONUCLEOTIDE-LIGAND CONJUGATES AND PROCESS FOR THEIR PREPARATION ALNYLAM PHARMACEUTICALS, INC. (US) 2015-01-15 WO disclosed
US-20110082312-A1 PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) 2011-04-07 US disclosed
US-20110082312-A1 PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS MERCK PATENT GESELLSCHAFT MIT DESCHRANKTER HAFTUNG (DE) 2011-04-07 US disclosed
US-20100196316-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION ENANTA PHARMACEUTICALS, INC. 2010-08-05 US disclosed
US-20090203631-A1 PEPTIDE DEFORMYLASE INHIBITORS AS NOVEL ANTIBIOTICS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-13 US disclosed
US-7538085-B2 Macrocyclic peptide antibiotics; drug resistant, drug sensitive bacterial infections THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-05-26 US disclosed
US-20070259812-A1 Peptide deformylase inhibitors as novel antibiotics THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION 2007-11-08 US disclosed
US-7208595-B2 Peptide deformylase inhibitors as novel antibiotics THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2007-04-24 US disclosed
US-20050026821-A1 Peptide deformylase inhibitors as novel antibiotics NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2005-02-03 US disclosed
WO-2000015613-A1 METHOD OF MAKING TERTIARY HINDERED AMINES ARISTECH CHEMICAL CORPORATION (US) 2000-03-23 WO disclosed
US-5856491-A REACTING SECONDARY AMINE WITH TERMINALLY UNSATURATED ELECTROPHILIC COMPOUND IN PRESENCE OF N-METHYLPYRROLIDINONE SOLVENT ARISTECH CHEMICAL CORP. (US) 1999-01-05 US 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-20090203631-A1 PEPTIDE DEFORMYLASE INHIBITORS AS NOVEL ANTIBIOTICS PDF, PADI3, PADI6 TSHR 3070/4885ALDH1A1 4009/4885LMNA 2917/4885
US-20110082312-A1 PRODUCTION OF COMPOUNDS COMPRISING CF30 GROUPS ZRANB2, ORC3, IKZF2 TSHR 2163/4885ALDH1A1 3861/4885LMNA 4449/4885
US-20100196316-A1 CYCLOSPORIN ANALOGUES FOR PREVENTING OR TREATING HEPATITIS C INFECTION HAVCR2, CHP1, PTPRC TSHR 4846/4885ALDH1A1 3391/4885LMNA 3948/4885
US-20070259812-A1 Peptide deformylase inhibitors as novel antibiotics PDF, PADI3, PADI6 TSHR 3070/4885ALDH1A1 4009/4885LMNA 2917/4885
US-20050026821-A1 Peptide deformylase inhibitors as novel antibiotics PDF, PADI3, PADI6 TSHR 3070/4885ALDH1A1 4009/4885LMNA 2917/4885

“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.