Sugi Predict

Sugi Predict / Compounds / SCHEMBL4610345

SCHEMBL4610345

SCHEMBL4610345

COc1cccc2c1OC[C@@H]1[C@H]2Nc2ccc(CCC(=O)O)cc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 5/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ LTB4R Q15722 1/20 0.36
▸ LTB4R2 Q9NPC1 1/20 0.36
▸ PSMB5 P28074 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SELP P16109 1/20 0.34
▸ FFAR4 Q5NUL3 2/20 0.34
▸ TP53 P04637 1/20 0.33
▸ CYP26A1 O43174 1/20 0.33
▸ CYP26B1 Q9NR63 1/20 0.33
▸ FABP4 P15090 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ PLA2G4A P47712 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
SCHEMBL4556104 1.00 FFAR1 (0.36) FFAR1MAPK1LTB4RLTB4R2PSMB5
SCHEMBL4556008 0.91 PSMB5 (0.39) MAPK1LTB4RLTB4R2PSMB5SMN1; SMN2
SCHEMBL4555663 0.84 MAPT (0.38) MAPK1SMN1; SMN2ALDH1A1GAATP53
SCHEMBL4554178 0.82 IRAK4 (0.35) MAPK1PSMB5SMN1; SMN2ALDH1A1GAA
SCHEMBL4563266 0.82 ALDH1A1 (0.32) MAPK1PSMB5ALDH1A1
SCHEMBL4864827 0.81 ALDH1A1 (0.36) MAPK1SMN1; SMN2ALDH1A1GAALMNA
SCHEMBL4556424 0.80 ALDH1A1 (0.35) MAPK1SMN1; SMN2ALDH1A1GAALMNA
SCHEMBL4564321 0.80 KMT2A (0.35) ALDH1A1LMNATP53
SCHEMBL4860872 0.80 FFAR1 (0.40) FFAR1LTB4RLTB4R2FFAR4TP53
SCHEMBL4566110 0.79 MAPK1 (0.31) MAPK1PSMB5ALDH1A1

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 FFAR1 332/4885MAPK1 3135/4885LTB4R 883/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP FFAR1 332/4885MAPK1 3135/4885LTB4R 883/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP FFAR1 332/4885MAPK1 3135/4885LTB4R 883/4885

“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.