SCHEMBL7786368

SCHEMBL7786368

N=C(N)NCCC[C@H](NC(=O)CNCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.49
C3AR1 Q16581 2/20 0.49
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 1/20 0.42
OPRK1 P41145 3/20 0.41
ITGB3 P05106 1/20 0.41
ITGAV P06756 1/20 0.41
TLR2 O60603 1/20 0.41
NPY1R P25929 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
SHMT1 P34896 1/20 0.40
NPY2R P49146 1/20 0.39
NPY4R P50391 1/20 0.39
NPY5R Q15761 1/20 0.39

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
SCHEMBL7786354 1.00 FOLH1 (0.49) FOLH1C3AR1ALDH1A1RAB9AOPRK1
SCHEMBL7788471 0.89 FOLH1 (0.57) FOLH1C3AR1
SCHEMBL7788481 0.89 FOLH1 (0.57) FOLH1C3AR1
SCHEMBL7790387 0.87 HDAC1 (0.42) FOLH1C3AR1ITGB3NPY1RNPY2R
SCHEMBL7790393 0.87 HDAC1 (0.42) FOLH1C3AR1ITGB3NPY1RNPY2R
SCHEMBL7785788 0.86 FOLH1 (0.43) FOLH1C3AR1NPY1RSHMT1NPY2R
SCHEMBL7786281 0.86 FOLH1 (0.43) FOLH1C3AR1NPY1RSHMT1NPY2R
SCHEMBL7790277 0.86 ITGB3 (0.41) FOLH1C3AR1ITGB3NPY1RSHMT1
SCHEMBL7786343 0.86 FOLH1 (0.43) FOLH1C3AR1NPY1RNPY2RNPY4R
SCHEMBL7790269 0.86 ITGB3 (0.41) FOLH1C3AR1ITGB3NPY1RSHMT1

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-20010056185-A1 C3A receptor ligands LEE DENNIS (US) 2001-12-27 US disclosed
EP-1017664-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP disclosed
WO-1999015490-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 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-20010056185-A1 C3A receptor ligands C3AR1, C5AR1, C5AR2 FOLH1 1373/4885C3AR1 1/4885ALDH1A1 2838/4885

“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.