Sugi Predict

Sugi Predict / Compounds / SCHEMBL5193844

SCHEMBL5193844

SCHEMBL5193844

CC(C)(C)[Si](C)(C)OCC[C@H](CNC(=O)c1cccc(C#N)c1O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 4/20 0.41
▸ LMNA P02545 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ S1PR3 Q99500 8/20 0.34
▸ S1PR1 P21453 6/20 0.34
▸ EGLN2 Q96KS0 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ CCKAR P32238 1/20 0.34
▸ CCKBR P32239 1/20 0.34
▸ S1PR2 O95136 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ S1PR4 O95977 2/20 0.33
▸ AURKA O14965 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ CYP26A1 O43174 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
SCHEMBL5195288 1.00 P2RX7 (0.41) P2RX7LMNANPC1POLBRAB9A
SCHEMBL5196514 0.91 P2RX7 (0.41) P2RX7LMNAS1PR3S1PR1CCKAR
SCHEMBL5196508 0.91 P2RX7 (0.41) P2RX7LMNAS1PR3S1PR1CCKAR
SCHEMBL5197238 0.87 P2RX7 (0.38) P2RX7LMNAPOLBS1PR3S1PR1
SCHEMBL5197234 0.87 P2RX7 (0.38) P2RX7LMNAPOLBS1PR3S1PR1
SCHEMBL5194115 0.86 P2RX7 (0.38) P2RX7LMNAPOLBS1PR3S1PR1
SCHEMBL5194119 0.86 P2RX7 (0.38) P2RX7LMNAPOLBS1PR3S1PR1
SCHEMBL6605525 0.84 TACR2 (0.37) P2RX7EGLN2EGLN1
SCHEMBL5193505 0.83 P2RX7 (0.36) P2RX7S1PR3S1PR1CCKARCCKBR
SCHEMBL5193512 0.83 P2RX7 (0.36) P2RX7S1PR3S1PR1CCKARCCKBR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1324992-B1 CYCLIZED BENZAMIDE NEUROKININ ANTAGONISTS FOR USE IN THERAPY ASTRAZENECA AB (SE) 2007-08-08 — — EP disclosed
US-20050192318-A1 Compounds ASTRAZENECA AB (SE) 2005-09-01 — — US disclosed
US-6924277-B2 Cyclized benzamide neurokinin antagonists for use in therapy ASTRAZENECA AB (SE) 2005-08-02 — — US disclosed
US-20040029850-A1 Cyclized benzamide neurokinin antagonists for use in therapy ASTRA ZENECA AB (SE) 2004-02-12 — — US disclosed
EP-1324992-A1 CYCLIZED BENZAMIDE NEUROKININ ANTAGONISTS FOR USE IN THERAPY AstraZeneca AB (SE) 2003-07-09 — — EP disclosed
WO-2002026724-A1 CYCLIZED BENZAMIDE NEUROKININ ANTAGONISTS FOR USE IN THERAPY ASTRAZENECA AB (SE) 2002-04-04 — — 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 (2 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-20050192318-A1 Compounds PCSK9, CYP11B2, CYP27A1 P2RX7 2103/4885LMNA 1121/4885NPC1 9/4885
US-20040029850-A1 Cyclized benzamide neurokinin antagonists for use in therapy BDKRB1, BDKRB2, NPY1R P2RX7 426/4885LMNA 2208/4885NPC1 659/4885

“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.