SCHEMBL336541

SCHEMBL336541

CCOc1cccc(C(NC(=O)c2ccc(N(CC)CC)cc2)C(O)C(=O)Nc2ccc3c(N)nccc3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
F9 P00740 5/20 0.46
F7 P08709 11/20 0.40
F3 P13726 9/20 0.40
F10 P00742 6/20 0.39
F11 P03951 6/20 0.39
F2 P00734 5/20 0.39
PRSS1 P07477 1/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38

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
SCHEMBL335731 0.90 F9 (0.47) MAPTF9F7F3F10
SCHEMBL335870 0.90 F9 (0.47) ALDH1A1F9F7F3F10
SCHEMBL335293 0.90 F9 (0.48) MAPTF9F7F3F10
SCHEMBL336042 0.90 F9 (0.48) MAPTF9F7F3F10
SCHEMBL336900 0.89 F9 (0.47) MAPTMAPK1F9F7F3
SCHEMBL335183 0.86 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1F9F7
SCHEMBL335988 0.86 F9 (0.44) ALDH1A1MAPTLMNAF9F7
SCHEMBL334902 0.86 F9 (0.49) ALDH1A1MAPTL3MBTL1F9F7
SCHEMBL335372 0.85 F9 (0.43) MAPTMAPK1F9F7F3
SCHEMBL335167 0.84 F9 (0.44) ALDH1A1MAPTLMNAMAPK1L3MBTL1

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 ALDH1A1 3166/4885MAPT 3998/4885LMNA 2062/4885

“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.