Sugi Predict

Sugi Predict / Compounds / SCHEMBL668759

SCHEMBL668759

SCHEMBL668759

C[C@@H](N)c1ccccc1P(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ DRD1 P21728 2/20 0.39
▸ CYP2D6 P10635 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ PNMT P11086 1/20 0.38
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ GLA P06280 1/20 0.37
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ MAOA P21397 2/20 0.34
▸ TAAR1 Q96RJ0 2/20 0.33
▸ SLC6A2 P23975 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33

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
SCHEMBL16292891 1.00 CYP3A4 (0.42) CYP3A4TDP1DRD1CYP2D6CYP1A2
SCHEMBL29053288 1.00 CYP3A4 (0.42) CYP3A4TDP1DRD1CYP2D6CYP1A2
SCHEMBL28158249 0.85 DRD1 (0.38) CYP3A4TDP1DRD1CYP2D6CYP1A2
SCHEMBL23581097 0.83 CYP3A4 (0.46) CYP3A4TDP1DRD1KDM4EESR1
SCHEMBL10024962 0.83 CYP3A4 (0.46) CYP3A4TDP1DRD1CYP1A2LMNA
SCHEMBL2846076 0.83 CYP3A4 (0.46) CYP3A4TDP1DRD1KDM4EESR1
SCHEMBL7089620 0.80 CYP3A4 (0.42) CYP3A4TDP1DRD1CYP1A2LMNA
SCHEMBL7165274 0.80 CYP3A4 (0.42) CYP3A4TDP1DRD1CYP1A2LMNA
SCHEMBL28829382 0.79 CYP3A4 (0.38) CYP3A4TDP1DRD1LMNAESR1
SCHEMBL28069430 0.79 CYP3A4 (0.38) CYP3A4TDP1DRD1LMNAESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016029216-A2 METHOD FOR PRODUCING AMIDINE DERIVATIVES BIOCRYST PHARMACEUTICALS, INC. (US) 2016-02-25 — — WO disclosed
US-8716508-B2 Method for preparing a metal catalyst KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-05-06 — — US disclosed
US-8716508-B2 Method for preparing a metal catalyst KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-05-06 — — US disclosed
US-8716508-B2 Method for preparing a metal catalyst KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2014-05-06 — — US disclosed
US-20120046479-A1 METHOD FOR PREPARING A METAL CATALYST KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-02-23 — — US disclosed
US-20120046479-A1 METHOD FOR PREPARING A METAL CATALYST KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-02-23 — — US disclosed
US-20120046479-A1 METHOD FOR PREPARING A METAL CATALYST KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2012-02-23 — — US disclosed
WO-2010043027-A1 METHOD FOR PREPARING A METAL CATALYST KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-04-22 — — WO disclosed
WO-2010043027-A1 METHOD FOR PREPARING A METAL CATALYST KANATA CHEMICAL TECHNOLOGIES INC. (CA) 2010-04-22 — — 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 (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-20120046479-A1 METHOD FOR PREPARING A METAL CATALYST INPP5B, DNPEP, AOC1 CYP3A4 2744/4885TDP1 1106/4885DRD1 1250/4885

“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.