Sugi Predict

Sugi Predict / Compounds / SCHEMBL4609216

SCHEMBL4609216

SCHEMBL4609216

COc1cccc2c1[C@H]1Nc3ccc(-c4ccc(C#N)cc4)cc3C(C)(C)[C@@H]1CO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 2/20 0.35
▸ PGR P06401 11/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MDM2 Q00987 1/20 0.33
▸ CACNB4 O00305 1/20 0.33
▸ CACNA1A O00555 1/20 0.33
▸ CACNA1G O43497 1/20 0.33
▸ CACNG3 O60359 1/20 0.33
▸ CACNA1F O60840 1/20 0.33
▸ CACNA1H O95180 1/20 0.33
▸ CACNB3 P54284 1/20 0.33
▸ CACNA2D1 P54289 1/20 0.33
▸ CACNG7 P62955 1/20 0.33
▸ CACNA1D Q01668 1/20 0.33
▸ CACNB1 Q02641 1/20 0.33
▸ CACNG1 Q06432 1/20 0.33
▸ CACNB2 Q08289 1/20 0.33
▸ CACNA1S Q13698 1/20 0.33
▸ CACNA1C Q13936 1/20 0.33
▸ CACNA1E Q15878 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
SCHEMBL4861218 0.94 PGR (0.42) PGRSTK10SLK
SCHEMBL14146879 0.94 PGR (0.42) PGRSTK10SLK
SCHEMBL4612431 0.90 ADRA1D (0.35) PGR
SCHEMBL4864334 0.90 ADRA1D (0.35) PGR
SCHEMBL4555633 0.89 PGR (0.38) PGRSTK10SLK
SCHEMBL4564297 0.89 PGR (0.35) PGRALDH1A1
SCHEMBL4629098 0.87 AR (0.34) CACNA1BPGRSTK10SLK
SCHEMBL4570013 0.87 AR (0.34) CACNA1BPGRSTK10SLK
SCHEMBL4565861 0.85 MAPT (0.34) PGRCHEK1
SCHEMBL4859401 0.85 PGR (0.35) PGRALDH1A1TACR3

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-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 — — US disclosed
US-7432276-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-10-07 — — US disclosed
US-7423045-B2 ABCA1 elevating compounds CV THERAPEUTICS, INC. (US) 2008-09-09 — — US disclosed
EP-1907395-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2008-04-09 — — EP disclosed
US-20070191379-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-08-16 — — US disclosed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 — — US disclosed
WO-2007002867-A1 ABCA1 ELEVATING COMPOUNDS CV THERAPEUTICS, INC. (US) 2007-01-04 — — 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 (3 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-20070191379-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP CACNA1B 3774/4885PGR 3836/4885ALDH1A1 1804/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP CACNA1B 3774/4885PGR 3836/4885ALDH1A1 1804/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP CACNA1B 3774/4885PGR 3836/4885ALDH1A1 1804/4885

“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.