Sugi Predict

Sugi Predict / Compounds / SCHEMBL4477839

SCHEMBL4477839

SCHEMBL4477839

CC(C)CCN(CCC(C)C)C(=O)Cc1c(C(=O)C(C)(C)C)sc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.48
▸ CD274 Q9NZQ7 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ HSP90AA1 P07900 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ FNTA P49354 2/20 0.33
▸ FNTB P49356 2/20 0.33
▸ MAOB P27338 1/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 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
SCHEMBL4181611 0.95 KDM4E (0.43) KDM4ECD274ALDH1A1KMT2AMAPT
SCHEMBL4181658 0.91 CD274 (0.41) KDM4ECD274ALDH1A1KMT2AMAPT
SCHEMBL4193688 0.87 CD274 (0.42) CD274MAPTTDP1
SCHEMBL6086897 0.86 KDM4E (0.42) KDM4ECD274ALDH1A1KMT2AMAPT
SCHEMBL4193443 0.85 CYP1A2 (0.42) KDM4ECD274ALDH1A1KMT2AMAPT
SCHEMBL4472382 0.85 KDM4E (0.39) KDM4EALDH1A1KMT2AMAPTMEN1
SCHEMBL4478135 0.84 ICAM1 (0.41) KDM4EALDH1A1MAPTMAPK1GAA
SCHEMBL4189808 0.83 KDM4E (0.41) KDM4ECD274ALDH1A1KMT2AMAPT
SCHEMBL4192859 0.81 CD274 (0.44) KDM4ECD274ALDH1A1KMT2AMAPT
SCHEMBL4198387 0.81 CYP1A2 (0.45) KDM4ECD274ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576122-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-08-18 — — US claimed
US-20060276504-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-12-07 — — US claimed
US-7576122-B2 Ophthalmic compositions for treating ocular hypertension MERCK & CO. INC. (US) 2009-08-18 — — US disclosed
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2008-11-20 — — US disclosed
US-20060276504-A1 Ophthalmic compositions for treating ocular hypertension MERCK SHARP & DOHME CORP. 2006-12-07 — — US 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-20060276504-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNJ11, KCNN1 KDM4E 1362/4885CD274 4569/4885ALDH1A1 938/4885
US-20080287489-A1 Ophthalmic compositions for treating ocular hypertension KCNH2, KCNH3, KCNJ11 KDM4E 1431/4885CD274 4607/4885ALDH1A1 899/4885

“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.