SCHEMBL2723490

SCHEMBL2723490

COc1ccc(NC=C(C(=O)O)C(=O)O)cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
HPGD P15428 2/20 0.55
TP53 P04637 1/20 0.55
PKM P14618 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 3/20 0.52
LMNA P02545 4/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
GLA P06280 1/20 0.50
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
MAPT P10636 5/20 0.48
GRM4 Q14833 1/20 0.48
GAA P10253 2/20 0.47
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL24311981 0.88 SMN1; SMN2 (0.55) ALDH1A1HTTSMN1; SMN2HPGDTP53
SCHEMBL5706881 0.86 GAA (0.61) ALDH1A1SMN1; SMN2TP53POLBLMNA
SCHEMBL15053652 0.82 DHODH (0.60) ALDH1A1HTTSMN1; SMN2HPGDTP53
SCHEMBL2904221 0.82 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2HPGDPKMPOLB
SCHEMBL3846169 0.82 LMNA (0.50) ALDH1A1HTTPOLBLMNAMEN1
SCHEMBL2908095 0.79 GRM4 (0.47) ALDH1A1SMN1; SMN2POLBLMNAMEN1
SCHEMBL7291739 0.79 GAA (0.50) ALDH1A1HPGDTP53POLBLMNA
SCHEMBL11388963 0.78 SMN1; SMN2 (0.53) ALDH1A1HTTSMN1; SMN2HPGDTP53
SCHEMBL11388960 0.78 SMN1; SMN2 (0.53) ALDH1A1HTTSMN1; SMN2HPGDTP53
SCHEMBL4466531 0.78 SMN1; SMN2 (0.55) ALDH1A1HTTSMN1; SMN2HPGDTP53

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
EP-2635279-A2 CHEMICAL COMPOUNDS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2013-09-11 EP disclosed
US-20130225524-A1 Chemical Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2013-08-29 US disclosed
WO-2012061557-A2 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-05-10 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-20130225524-A1 Chemical Compounds LDHA, NQO2, LDHB ALDH1A1 33/4885HTT 3157/4885SMN1; SMN2 4267/4885

“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.