SCHEMBL4739869

SCHEMBL4739869

NCCCC[C@H](NC(=O)COc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
ALOX12 P18054 1/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
C3AR1 Q16581 3/20 0.46
ADAMTS5 Q9UNA0 1/20 0.46
NOTUM Q6P988 1/20 0.46
HSD17B10 Q99714 1/20 0.46
WDR5 P61964 1/20 0.45
RECQL P46063 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FOLH1 Q04609 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL4739878 1.00 GPR34 (0.48) GPR34TP53GAAALOX12CTSL
SCHEMBL4599881 0.87 GPR34 (0.54) GPR34RECQLSMN1; SMN2ALDH1A1
SCHEMBL4599884 0.87 GPR34 (0.54) GPR34RECQLSMN1; SMN2ALDH1A1
SCHEMBL10608174 0.84 FOLH1 (0.52) GPR34TP53GAAALOX12ADAMTS5
SCHEMBL4600461 0.83 ALDH1A1 (0.54) GPR34GAAC3AR1SMN1; SMN2ALDH1A1
SCHEMBL4600451 0.83 ALDH1A1 (0.54) GPR34GAAC3AR1SMN1; SMN2ALDH1A1
SCHEMBL4739164 0.83 KDM4E (0.60) GPR34GAACTSLCTSBCTSS
SCHEMBL4739157 0.83 KDM4E (0.60) GPR34GAACTSLCTSBCTSS
SCHEMBL9752048 0.82 KMT2A (0.57) ADAMTS5RECQLALDH1A1LMNA
SCHEMBL4599289 0.80 FOLH1 (0.49) GPR34SMN1; SMN2FOLH1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 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-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH GPR34 3983/4885TP53 81/4885GAA 139/4885

“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.