SCHEMBL335393

SCHEMBL335393

Nc1nc2ccc(NC(=O)C(O)C(c3ccccc3)N(Cc3ccccc3)C(=O)O)cc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.42
ABL1 P00519 1/20 0.41
FABP6 P51161 1/20 0.41
F7 P08709 1/20 0.40
F3 P13726 1/20 0.40
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL336087 0.89 NR2E3 (0.41) ACP1ABL1FABP6F7F3
SCHEMBL335249 0.85 ACP1 (0.39) ACP1ABL1FABP6F7F3
SCHEMBL4123591 0.81 ACP1 (0.48) ACP1ABL1FABP6F7F3
SCHEMBL4109421 0.81 ACP1 (0.48) ACP1ABL1FABP6F7F3
SCHEMBL335832 0.81 ACP1 (0.48) ACP1ABL1FABP6F7F3
SCHEMBL4100714 0.80 ABL1 (0.52) ACP1ABL1FABP6NPC1ALDH1A1
SCHEMBL336088 0.79 ABL1 (0.39) ACP1ABL1FABP6F7F3
SCHEMBL15282285 0.78 ACP1 (0.46) ACP1ABL1FABP6F7F3
SCHEMBL15282212 0.78 ACP1 (0.46) ACP1ABL1FABP6F7F3
SCHEMBL335576 0.76 ABL1 (0.43) ACP1ABL1FABP6F7NPC1

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-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US claimed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US claimed

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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 ACP1 1423/4885ABL1 2660/4885FABP6 3044/4885

“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.