SCHEMBL5879637

SCHEMBL5879637

CCOC(=O)CC(=CCl)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
ALDH1A1 P00352 5/20 0.40
TRPA1 O75762 1/20 0.40
HCAR2 Q8TDS4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
ALOX15 P16050 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
SOAT1 P35610 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
SCHEMBL27781924 0.83 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3504490 0.80 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28601595 0.80 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL275176 0.79 GAA (0.58) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL29777553 0.78 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10423902 0.77 GAA (0.50) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL18486879 0.76 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL28126343 0.73 GAA (0.88) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331824 0.72 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL1331187 0.72 GAA (1.00) GAAMGAMSIMGAM2ALDH1A1

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-7026339-B2 Inhibitors of HCV NS5B polymerase PFIZER INC. 2006-04-11 US disclosed
US-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate PHARMACIA & UPJOHN COMPANY 2005-07-14 US disclosed
EP-0837363-B1 Photographic elements containing development inhibitor releasing compounds EASTMAN KODAK CO (US) 2001-05-09 EP disclosed
US-6043378-A CONTAINING AN IMAGE MODIFYING COMPOUND WHICH COMPRISES A MAGENTA COUPLER MOIETY WHICH UPON REACTION WITH OXIDIZED COLOR DEVELOPING AGENT DURING PROCESSING FORMS A DYE; STORAGE STABILITY EASTMAN KODAK COMPANY (US) 2000-03-28 US disclosed
US-5759757-A PYRAZOLO-1,2,3-TRIAZOLE DERIVATIVES AS IMAGE MODIFIERS; STORAGE STABILITY EASTMAN KODAK COMPANY (US) 1998-06-02 US disclosed
EP-0837363-A2 Photographic elements containing development inhibitor releasing compounds EASTMAN KODAK COMPANY (US) 1998-04-22 EP 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-20050154056-A1 [(hetero)aryl or cycloalkylacetylhydrazono]methylbenzene derivatives, o-substituted with (hetero)aryl- or cycloalkyl- sulfonyloxy-, sulfonylamino-, S(O)0-2methyl-, or methoxy- groups, e.g., 3-chloro-2-((E)-{[(3-methoxyphenyl)acetyl]hydrazono}methyl)phenyl 4-(trifluoromethyl)benzenesulfonate ACACB, HCCS, HAVCR2 GAA 1027/4885MGAM 2818/4885SI 2226/4885

“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.