Sugi Predict

Sugi Predict / Compounds / SCHEMBL6358100

SCHEMBL6358100

SCHEMBL6358100

Cc1cc(C)cc(NC(=O)Cc2ccc(OC3(OC=O)CCCC(C)C3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.40
▸ POLB P06746 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NLRP3 Q96P20 2/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA4 P22748 1/20 0.35
▸ CA5A P35218 1/20 0.35
▸ CA7 P43166 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ CA13 Q8N1Q1 1/20 0.35
▸ CA5B Q9Y2D0 1/20 0.35

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
SCHEMBL6362032 0.94 ALDH1A1 (0.41) ALDH1A1POLBRORCKDM4EHPGD
SCHEMBL6353570 0.88 RORC (0.40) ALDH1A1POLBRORCKDM4EHPGD
SCHEMBL8861298 0.88 ALDH1A1 (0.46) ALDH1A1POLBRORCKDM4EHPGD
SCHEMBL6357188 0.83 ALDH1A1 (0.41) ALDH1A1POLBRORCKDM4EHPGD
SCHEMBL6358099 0.83 ALDH1A1 (0.39) ALDH1A1POLBRORCKDM4EHPGD
SCHEMBL6362031 0.79 ALDH1A1 (0.41) ALDH1A1POLBKDM4EHPGDMEN1
SCHEMBL6357186 0.77 ALDH1A1 (0.41) ALDH1A1POLBRORCKDM4EHPGD
SCHEMBL6353574 0.77 RORC (0.39) ALDH1A1POLBRORCKDM4EHPGD
SCHEMBL6543285 0.77 ALDH1A1 (0.44) ALDH1A1POLBRORCKDM4EHPGD
SCHEMBL6358103 0.73 ALDH1A1 (0.45) ALDH1A1POLBRORCKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers ALLOS THERAPEUTICS, INC. 2005-07-14 — — US disclosed
US-6894185-B2 Substituted chiral allosteric hemoglobin modifiers Allós Therapeutics, Inc. (US) 2005-05-17 — — US disclosed
EP-1206442-A4 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS UNIV VIRGINIA COMMONWEALTH (US) 2004-12-29 — — EP disclosed
US-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers ABRAHAM DONALD J (US) 2003-07-10 — — US disclosed
US-6486342-B1 Substituted chiral allosteric hemoglobin modifiers VIRGINIA COMMONWEALTH UNIVERSITY 2002-11-26 — — US disclosed
EP-1206442-A1 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2002-05-22 — — EP disclosed
WO-2001014316-A1 SUBSTITUTED CHIRAL ALLOSTERIC HEMOGLOBIN MODIFIERS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2001-03-01 — — 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-20030130523-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 ALDH1A1 4454/4885POLB 4679/4885RORC 310/4885
US-20050154062-A1 Substituted chiral allosteric hemoglobin modifiers HBZ, HBB, HBG2 ALDH1A1 4454/4885POLB 4679/4885RORC 310/4885

“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.