SCHEMBL12819009

SCHEMBL12819009

COP(O)(=S)OCCCCCCN

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 14/20 0.44
LPAR2 Q9HBW0 12/20 0.44
LPAR1 Q92633 7/20 0.37
LPAR6 P43657 4/20 0.34
LPAR4 Q99677 4/20 0.34
LPAR5 Q9H1C0 4/20 0.34
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32
DNM1 Q05193 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL28089409 0.83
Dodecylamine SCHEMBL11065806 0.82 LPAR3 (0.62) LPAR3LPAR2LPAR1DNM1TSHR
SCHEMBL31373209 0.82 LPAR3 (0.67) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL8467645 0.82 LPAR3 (0.67) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL13748550 0.79 LPAR3 (0.47) LPAR3LPAR2LPAR1CA12CA1
SCHEMBL25559472 0.79 LPAR3 (0.61) LPAR3LPAR2LPAR1LPAR6LPAR4
SCHEMBL6933398 0.79 LPAR3 (0.61) LPAR3LPAR2LPAR1LPAR6LPAR4
Dodecylamine SCHEMBL11084017 0.78 LPAR3 (0.57) LPAR3LPAR2LPAR1DNM1TSHR
SCHEMBL19237471 0.76 LPAR3 (0.44) LPAR3LPAR2LPAR1LMNATSHR
SCHEMBL2755680 0.76 LPAR3 (0.44) LPAR3LPAR2LPAR1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230287413-A1 TARGETED DELIVERY OF AN INHIBITOR OF MIR-21 TO MACROPHAGES FOR THE TREATMENT OF PULMONARY FIBROSIS Technische Universität München (DE) 2023-09-14 US disclosed
US-20230158156-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF FLAGSHIP PIONEERING, INC. (US) 2023-05-25 US disclosed
US-20210228615-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF WAVE LIFE SCIENCES LTD. (SG) 2021-07-29 US disclosed
US-8785151-B2 Biosynthetically generated pyrroline-carboxy-lysine and site specific protein modifications via chemical derivatization of pyrroline-carboxy-lysine and pyrrolysine residues NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2014-07-22 US disclosed
EP-2356092-B1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES IRM LLC (BM) 2014-04-16 EP disclosed
US-20110262963-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2011-10-27 US disclosed
US-7902160-B2 ENA nucleic acid drugs modifying splicing in mRNA precursor Matsuo, Masafumi (JP) 2011-03-08 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 (4 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-20210228615-A1 OLIGONUCLEOTIDE COMPOSITIONS AND METHODS THEREOF SMN1; SMN2, RBM17, RBM22 LPAR3 1231/4885LPAR2 919/4885LPAR1 1401/4885
US-20230158156-A1 BIFUNCTIONAL MOLECULES AND METHODS OF USING THEREOF EFTUD2, SNRPE, DDX21 LPAR3 2435/4885LPAR2 1934/4885LPAR1 2796/4885
US-20110262963-A1 BIOSYNTHETICALLY GENERATED PYRROLINE-CARBOXY-LYSINE AND SITE SPECIFIC PROTEIN MODIFICATIONS VIA CHEMICAL DERIVATIZATION OF PYRROLINE-CARBOXY-LYSINE AND PYRROLYSINE RESIDUES PTMS, PHYKPL, DNPEP LPAR3 4238/4885LPAR2 4187/4885LPAR1 4025/4885
US-20230287413-A1 TARGETED DELIVERY OF AN INHIBITOR OF MIR-21 TO MACROPHAGES FOR THE TREATMENT OF PULMONARY FIBROSIS MMP12, USP21, ACE2 LPAR3 1408/4885LPAR2 1353/4885LPAR1 1005/4885

“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.