Sugi Predict

Sugi Predict / Compounds / SCHEMBL4652289

SCHEMBL4652289

SCHEMBL4652289

CC(C)Cc1cc(-c2ccc(-c3ccc(CCC#N)cc3CC(C)C)cc2Cc2ccccc2)ccc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.54
▸ MDM2 Q00987 1/20 0.54
▸ BCL2L1 Q07817 4/20 0.53
▸ MCL1 Q07820 2/20 0.53
▸ GABRA1 P14867 2/20 0.44
▸ GABRB2 P47870 2/20 0.44
▸ BCL2L11 O43521 1/20 0.43
▸ BAK1 Q16611 1/20 0.43
▸ SLC7A5 Q01650 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CYP3A4 P08684 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ S1PR1 P21453 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
SCHEMBL4652321 0.98 TP53 (0.54) TP53MDM2BCL2L1MCL1GABRA1
SCHEMBL4652316 0.97 TP53 (0.52) TP53MDM2BCL2L1MCL1GABRA1
SCHEMBL4651628 0.91 GABRA1 (0.52) TP53MDM2BCL2L1MCL1GABRA1
SCHEMBL14066635 0.89 TP53 (0.53) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14066642 0.89 TP53 (0.53) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14066641 0.88 TP53 (0.52) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14066661 0.88 TP53 (0.52) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14066639 0.88 TP53 (0.54) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL14066663 0.88 TP53 (0.54) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL4651452 0.86 BCL2L1 (0.57) TP53MDM2BCL2L1MCL1GABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1408986-B1 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2008-09-24 — — EP disclosed
US-7312246-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2007-12-25 — — US disclosed
EP-1408986-A4 PROTEOMIMETIC COMPOUNDS AND METHODS UNIV YALE (US) 2006-01-11 — — EP disclosed
US-20050215563-A1 Proteomimetic compounds and methods YALE UNIVERSITY 2005-09-29 — — US disclosed
US-6858600-B2 Proteomimetic compounds and methods YALE UNIVERSITY (US) 2005-02-22 — — US disclosed
EP-1408986-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2004-04-21 — — EP disclosed
US-20030008882-A1 Proteomimetic compounds and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-01-09 — — US disclosed
WO-2002089738-A2 PROTEOMIMETIC COMPOUNDS AND METHODS YALE UNIVERSITY (US) 2002-11-14 — — 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-20030008882-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 TP53 468/4885MDM2 569/4885BCL2L1 716/4885
US-20050215563-A1 Proteomimetic compounds and methods PACSIN2, HSP90B1, PHLPP2 TP53 468/4885MDM2 569/4885BCL2L1 716/4885

“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.