Sugi Predict

Sugi Predict / Compounds / SCHEMBL4598266

SCHEMBL4598266

SCHEMBL4598266

CCS(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)C(C)(C)[C@@H]2COc4c(F)cccc4[C@H]2N3)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PKLR P30613 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ LMNA P02545 2/20 0.39
▸ PARP1 P09874 5/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ USP2 O75604 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ POLB P06746 2/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PRKAG1 P54619 1/20 0.34
▸ PRKAA1 Q13131 1/20 0.34
▸ PRKAB1 Q9Y478 1/20 0.34
▸ HTT P42858 1/20 0.34

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
SCHEMBL4556184 0.89 ALDH1A1 (0.41) TSHRLMNAPARP1USP2ALDH1A1
SCHEMBL4437480 0.89 ALDH1A1 (0.41) TSHRLMNAPARP1USP2ALDH1A1
SCHEMBL4556213 0.81 GAA (0.34) TSHRPARP1BRD4GAAPRKAG1
SCHEMBL4565791 0.80 ALDH1A1 (0.41) TSHRLMNAPARP1USP2ALDH1A1
SCHEMBL4447281 0.76 KMT2A (0.43) MAPK1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL4598773 0.76 KMT2A (0.43) MAPK1ALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL4563541 0.74 MEN1 (0.36) PKLRUSP2ALDH1A1MEN1GAA
SCHEMBL4554638 0.73 SCN9A (0.35) TSHRLMNAPARP1USP2POLB
SCHEMBL4556317 0.72 TP53 (0.32) SMN1; SMN2
SCHEMBL4609768 0.72 TP53 (0.32) SMN1; SMN2

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
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABELMAN MATTHEW 2008-11-27 — — US claimed
US-20070010544-A1 ABCA1 elevating compounds CV THERAPEUTICS, INC. 2007-01-11 — — US claimed
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 PKLR 2328/4885TSHR 3101/4885LMNA 830/4885
US-20080293757-A1 ABCA1 ELEVATING COMPOUNDS ABCD3, ABCB4, CETP PKLR 2328/4885TSHR 3101/4885LMNA 830/4885
US-20070010544-A1 ABCA1 elevating compounds ABCD3, ABCB4, CETP PKLR 2328/4885TSHR 3101/4885LMNA 830/4885

“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.