SCHEMBL16031069

SCHEMBL16031069

O=C(O)NCCC(O)c1cccc(S(=O)(=O)CC2CCS(O)(O)CC2)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.36
HSD11B1 P28845 1/20 0.33
SLC6A9 P48067 1/20 0.33
KIF18A Q8NI77 1/20 0.33
EPHX2 P34913 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
MTNR1A P48039 2/20 0.32
MTNR1B P49286 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CCR2 P41597 9/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL16031070 0.93 CNR2 (0.38) AGTR2HSD11B1SLC6A9KIF18AEPHX2
SCHEMBL16031752 0.87 SMN1; SMN2 (0.39) AGTR2HSD11B1SLC6A9KIF18AEPHX2
SCHEMBL16030863 0.81 NR1H2 (0.36) AGTR2HSD11B1SMN1; SMN2L3MBTL1
SCHEMBL16150090 0.80 AGTR2 (0.36) AGTR2HSD11B1SLC6A9KIF18AEPHX2
SCHEMBL16031780 0.79 HSD11B1 (0.38) HSD11B1SMN1; SMN2L3MBTL1CCR2
SCHEMBL16030601 0.78 CHRM3 (0.40)
SCHEMBL1710552 0.78 POLB (0.36) AGTR2HSD11B1SMN1; SMN2
SCHEMBL13400238 0.77 HDAC6 (0.38) KIF18AMTNR1AMTNR1BSMN1; SMN2CCR2
SCHEMBL1710495 0.75 ALDH1A1 (0.38) AGTR2SMN1; SMN2
SCHEMBL13400241 0.75 CA1 (0.40) SMN1; SMN2

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
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2017-01-26 US disclosed
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-08-11 US disclosed
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-06-02 US disclosed
US-9133154-B2 Substituted 3-phenylpropylamine derivatives for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-09-15 US disclosed
US-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-09-18 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-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 AGTR2 1406/4885HSD11B1 2759/4885SLC6A9 3194/4885
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 AGTR2 1406/4885HSD11B1 2759/4885SLC6A9 3194/4885
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 AGTR2 1406/4885HSD11B1 2759/4885SLC6A9 3194/4885
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 AGTR2 1406/4885HSD11B1 2759/4885SLC6A9 3194/4885

“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.