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Sugi Predict / Compounds / SCHEMBL4363671

SCHEMBL4363671

SCHEMBL4363671

COC(=O)CCc1cc(C(=O)c2c(Cl)ccc(Cl)c2C(=O)O)c(O)c(Cl)c1O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MAPT P10636 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ EGFR P00533 1/20 0.31
▸ HSP90B1 P14625 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ CCNC P24863 1/20 0.31
▸ CDK8 P49336 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
SCHEMBL4361731 0.88 L3MBTL1 (0.32) ALDH1A1L3MBTL1MEN1KMT2AEGFR
SCHEMBL10138023 0.88 TSHR (0.37) ALDH1A1MAPTMEN1KMT2AHSP90B1
SCHEMBL2348285 0.88 PBRM1 (0.36) L3MBTL1POLBMEN1KMT2AHSP90B1
SCHEMBL4358865 0.86 ALDH1A1 (0.36) ALDH1A1KDM4EL3MBTL1MAPTPOLB
SCHEMBL4011884 0.85 ALDH1A1 (0.36) ALDH1A1L3MBTL1MEN1KMT2AMAPK1
SCHEMBL4011696 0.85 KMT2A (0.41) ALDH1A1L3MBTL1POLBMEN1KMT2A
SCHEMBL4356056 0.83 L3MBTL1 (0.34) ALDH1A1KDM4EHSD17B10L3MBTL1MAPT
SCHEMBL4358008 0.78 ALDH1A1 (0.34) ALDH1A1L3MBTL1MAPK1
SCHEMBL4012367 0.77 ACLY (0.35) ALDH1A1HSP90B1MAPK1HSP90AA1CCNC
SCHEMBL14458606 0.76 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601851-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2009-10-13 — — US disclosed
US-7112684-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2006-09-26 — — US disclosed
US-20050277144-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-12-15 — — US disclosed
US-6972339-B2 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-12-06 — — US disclosed
US-20050176066-A1 Compounds and methods for fluorescent labeling EPOCH BIOSCIENCES, INC. (US) 2005-08-11 — — US disclosed
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING EPOCH BIOSCIENCES, INC. (US) 2005-08-04 — — 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 (3 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-20050176066-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB DPP4 2575/4885ALDH1A1 218/4885KDM4E 3500/4885
US-20050171340-A1 COMPOUNDS AND METHODS FOR FLUORESCENT LABELING HLCS, GLB1, TUBB DPP4 2575/4885ALDH1A1 218/4885KDM4E 3500/4885
US-20050277144-A1 Compounds and methods for fluorescent labeling HLCS, GLB1, TUBB DPP4 2575/4885ALDH1A1 218/4885KDM4E 3500/4885

“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.