Sugi Predict

Sugi Predict / Compounds / SCHEMBL4652334

SCHEMBL4652334

SCHEMBL4652334

CC(C)Cc1cc(CCC#N)ccc1-c1ccc(OS(=O)(=O)C(F)(F)F)c(C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.40
▸ MDM2 Q00987 1/20 0.40
▸ BCL2L1 Q07817 3/20 0.39
▸ MCL1 Q07820 2/20 0.39
▸ RORC P51449 1/20 0.33
▸ FFAR4 Q5NUL3 1/20 0.33
▸ S1PR1 P21453 4/20 0.32
▸ S1PR5 Q9H228 3/20 0.32
▸ S1PR3 Q99500 2/20 0.32
▸ BCL2L11 O43521 1/20 0.31
▸ BAK1 Q16611 1/20 0.31
▸ ATM Q13315 1/20 0.31

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
SCHEMBL4651376 0.92 BCL2L1 (0.44) TP53MDM2BCL2L1MCL1RORC
SCHEMBL4652389 0.86 TP53 (0.54) TP53MDM2BCL2L1MCL1RORC
SCHEMBL4651264 0.85 ATM (0.42) TP53MDM2BCL2L1MCL1FFAR4
SCHEMBL5344091 0.83 TP53 (0.41) TP53MDM2BCL2L1MCL1RORC
SCHEMBL4652577 0.82 BCL2L1 (0.56) TP53MDM2BCL2L1MCL1FFAR4
SCHEMBL4651441 0.79 BCL2L1 (0.42) TP53MDM2BCL2L1MCL1BCL2L11
SCHEMBL5353343 0.77 BCL2L1 (0.45) TP53MDM2BCL2L1MCL1FFAR4
SCHEMBL4653801 0.77 GABRA1 (0.43) TP53MDM2BCL2L1MCL1S1PR1
SCHEMBL14066551 0.76 TP53 (0.37) TP53MDM2BCL2L1MCL1RORC
SCHEMBL4651543 0.76 BCL2L1 (0.46) TP53MDM2BCL2L1MCL1BCL2L11

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
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
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.