Sugi Predict

Sugi Predict / Compounds / SCHEMBL5859043

SCHEMBL5859043

SCHEMBL5859043

COC1=C(OC)C(=O)C(Cc2cccc(C(=O)N[C@@H](C)c3ccccc3)c2-c2ccncc2)=C(C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ROCK1 Q13464 12/20 0.45
▸ ROCK2 O75116 7/20 0.45
▸ PRKACA P17612 6/20 0.45
▸ GSK3A P49840 6/20 0.45
▸ GSK3B P49841 6/20 0.45
▸ PRKX P51817 6/20 0.45
▸ PRKG1 Q13976 5/20 0.45
▸ CLK4 Q9HAZ1 5/20 0.45
▸ RPS6KB1 P23443 4/20 0.45
▸ CDK2 P24941 4/20 0.45
▸ MAPK1 P28482 4/20 0.45
▸ PRKCD Q05655 4/20 0.45
▸ PRKG2 Q13237 4/20 0.45
▸ PKN2 Q16513 4/20 0.45
▸ CDC42BPA Q5VT25 4/20 0.45
▸ SGK2 Q9HBY8 4/20 0.45
▸ RPS6KA3 P51812 4/20 0.45
▸ RPS6KA5 O75582 3/20 0.45

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
SCHEMBL5859884 0.91 USP2 (0.43) ALDH1A1KMT2AROCK1ROCK2PRKACA
SCHEMBL5862102 0.81 ROCK1 (0.46) ALDH1A1KMT2AROCK1ROCK2PRKACA
SCHEMBL5859301 0.81 ROCK1 (0.46) ALDH1A1KMT2AROCK1ROCK2PRKACA
SCHEMBL5859312 0.81 USP2 (0.48) ALDH1A1KMT2AROCK1ROCK2PRKACA
SCHEMBL5859049 0.79 ROCK1 (0.47) ALDH1A1KMT2AROCK1ROCK2PRKACA
SCHEMBL5860301 0.78 SMO (0.44) KDR
SCHEMBL5859244 0.75 CYP46A1 (0.44) ALDH1A1KMT2AHTTCYP2C9KDM4E
SCHEMBL6095723 0.74 ALDH1A1 (0.49) ALDH1A1KMT2AHPGDKDM4EHSD17B10
SCHEMBL6097233 0.74 ALDH1A1 (0.49) ALDH1A1KMT2AHPGDKDM4EHSD17B10
SCHEMBL5862083 0.73 KCNK3 (0.46) ALDH1A1KMT2AMAPK1HTTKDM4E

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-7122543-B2 Substituted benzoic acid derivatives having NF-κB inhibiting action DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2006-10-17 — — US disclosed
EP-1472260-A2 THIENO(3,2-B)PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2004-11-03 — — EP disclosed
EP-1437339-A1 SUBSTITUTED BENZOIC ACID DERIVATIVES EXHIBITING NF-KAPPA B INHIBITING ACTIVITY Daiichi Suntory Pharma Co., Ltd. (JP) 2004-07-14 — — EP disclosed
US-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity DAIICHI ASUBIO PHARMA CO., LTD. (JP) 2004-02-26 — — US disclosed
WO-2003059878-A2 THIENO (3, 2-B) PYRIDONES AS ANTIVIRAL COMPOUNDS PHARMACIA & UPJOHN COMPANY (US) 2003-07-24 — — 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 (1 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-20040039061-A1 Substituted benzoic acid derivatives exhibiting nf-k b inhibiting activity NFKBIA, NFKB2, IKBKB ALDH1A1 1776/4885KMT2A 1845/4885ROCK1 4180/4885

“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.