SCHEMBL3394789

SCHEMBL3394789

Cc1ccc(C(=O)CC[C@H](N)C(=O)O)c2oc(C(N)=O)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.36
CASR P41180 1/20 0.35
KMT2A Q03164 3/20 0.35
ALOX15 P16050 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
GRM8 O00222 2/20 0.33
GRM6 O15303 2/20 0.33
GRM4 Q14833 2/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GSR P00390 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRIK1 P39086 1/20 0.33
GRM5 P41594 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
SLC1A3 P43003 1/20 0.33
SLC1A2 P43004 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
SCHEMBL3394798 0.84 PLA2G10 (0.34) CASRKMT2AGRM8GRM6GRM4
SCHEMBL3396136 0.84 PLA2G10 (0.34) CASRKMT2AGRM8GRM6GRM4
SCHEMBL17843524 0.64 MAPT (0.48) KMT2ARARARARBRARGMEN1
SCHEMBL9562939 0.64 KMT2A (0.45) KIF11KMT2AALOX15BLMPMP22
SCHEMBL17843583 0.63 RARA (0.50) KMT2ARARARARBRARG
SCHEMBL5143241 0.63 KLKB1 (0.41) KMT2AALOX15BLMPMP22GRM8
SCHEMBL10613892 0.62 KMT2A (0.50) KIF11KMT2AALOX15BLMPMP22
SCHEMBL176812 0.61 KMT2A (0.48) KIF11KMT2AALOX15BLMPMP22
SCHEMBL4414897 0.61 KMT2A (0.44) KIF11KMT2AALOX15BLMPMP22
SCHEMBL10436127 0.61 GRM8 (0.43) KIF11KMT2AALOX15BLMPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20080161324-A1 Compositions and methods for treatment of viral diseases EXCRX (SINGAPORE) PTE. LTD. (F.K.A. COMBINATORX (SINGAPORE) PTE LTD.) (SG) 2008-07-03 US disclosed
WO-2008033466-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PRE. LTD. (SG) 2008-03-20 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A KIF11 4652/4885CASR 3969/4885KMT2A 1108/4885
US-20080161324-A1 Compositions and methods for treatment of viral diseases HAVCR2, EIF2AK2, RNASE1 KIF11 3923/4885CASR 3808/4885KMT2A 2353/4885

“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.