SCHEMBL335732

SCHEMBL335732

CCN(CC)c1ccc(C(=O)NC(c2cc(F)ccc2S(C)(=O)=O)C(O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
F9 P00740 2/20 0.36
F7 P08709 2/20 0.36
KDM1A O60341 1/20 0.36
BACE1 P56817 1/20 0.35
BACE2 Q9Y5Z0 1/20 0.35
MCHR1 Q99705 3/20 0.35
ESRRG P62508 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PLG P00747 1/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
PRSS1 P07477 1/20 0.34
IKBKB O14920 1/20 0.34
F11 P03951 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL27580405 0.88 BACE1 (0.37) KDM1ABACE1BACE2F2F10
SCHEMBL27580402 0.86 KDM1A (0.35) MAPTF9F7KDM1ABACE1
SCHEMBL335555 0.85 MAPT (0.39) MAPTF9F7ESRRGSMN1; SMN2
SCHEMBL335303 0.85 MAPT (0.40) MAPTF9F7MCHR1ESRRG
SCHEMBL335524 0.84 NR2E3 (0.43) MAPTF9F7SMN1; SMN2IKBKB
SCHEMBL335191 0.83 MAPT (0.45) MAPTF9F7SMN1; SMN2IKBKB
SCHEMBL335484 0.82 MAPT (0.43) MAPTF9F7SMN1; SMN2IKBKB
SCHEMBL335886 0.82 F7 (0.37) MAPTF9F7ESRRGSMN1; SMN2
SCHEMBL337002 0.81 MAPT (0.41) MAPTF9F7ESRRGSMN1; SMN2
SCHEMBL335848 0.81 MCHR1 (0.42) MAPTF9F7MCHR1ESRRG

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-2069289-B1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI SA (FR) 2013-10-02 EP claimed
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 MAPT 3998/4885F9 3/4885F7 6/4885

“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.