SCHEMBL1649720

SCHEMBL1649720

CN1C(=O)CCC1COS(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.37
KCNA5 P22460 2/20 0.36
KCNH2 Q12809 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.34
SRD5A1 P18405 4/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KDM4E B2RXH2 3/20 0.30
TSHR P16473 2/20 0.30
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
THPO P40225 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MMP9 P14780 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
SCHEMBL31309712 1.00 PDK2 (0.37) PDK2KCNA5KCNH2IRAK4SRD5A1
SCHEMBL1587463 1.00 PDK2 (0.37) PDK2KCNA5KCNH2IRAK4SRD5A1
SCHEMBL16031734 0.90 CASP3 (0.32) PDK2KCNA5KCNH2
SCHEMBL7287818 0.79 PDK2 (0.39) PDK2KCNA5IRAK4SRD5A1PDCD1LG2
SCHEMBL12409662 0.79 PDK2 (0.39) PDK2KCNA5IRAK4SRD5A1PDCD1LG2
SCHEMBL1649644 0.79 KCNA5 (0.38) KCNA5KMT2A
SCHEMBL2417117 0.77 CYP2D6 (0.44) PDK2SRD5A1TSHRCYP3A4MAPK1
SCHEMBL2417114 0.77 CYP2D6 (0.44) PDK2SRD5A1TSHRCYP3A4MAPK1
SCHEMBL345069 0.77 CYP2D6 (0.44) PDK2SRD5A1TSHRCYP3A4MAPK1
SCHEMBL29306472 0.76 PDK2 (0.38) PDK2KCNA5KCNH2IRAK4SRD5A1

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-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
EP-2970099-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2016-01-20 EP disclosed
US-9133154-B2 Substituted 3-phenylpropylamine derivatives for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-09-15 US disclosed
WO-2014164905-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-10-09 WO disclosed
US-20140275043-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-09-18 US disclosed
WO-2011049520-A1 ADAMANTYL IMINOCARBONYL-SUBSTITUTED PYRIMIDINES AS INHIBITORS OF 1 1 BETAHSD1 ASTRAZENECA AB (SE) 2011-04-28 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 (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 PDK2 180/4885KCNA5 2753/4885KCNH2 3228/4885
US-20160229831-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 PDK2 180/4885KCNA5 2753/4885KCNH2 3228/4885
US-20170022180-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 PDK2 180/4885KCNA5 2753/4885KCNH2 3228/4885
US-20160151369-A1 SUBSTITUTED 3-PHENYLPROPYLAMINE DERIVATIVES FOR THE TREATMENT OF OPHTHALMIC DISEASES AND DISORDERS ALDH1A2, PSEN2, CLN6 PDK2 180/4885KCNA5 2753/4885KCNH2 3228/4885

“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.