SCHEMBL335885

SCHEMBL335885

CCN(CC)c1ccc(C(=O)NC(c2ccccc2Cl)C(O)C(=O)Nc2ccc3c(N)nccc3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 8/20 0.43
ROCK2 O75116 1/20 0.39
F7 P08709 6/20 0.39
F3 P13726 4/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
MAPT P10636 1/20 0.38
ESRRG P62508 1/20 0.38
HCRTR1 O43613 1/20 0.37
CACNA1B Q00975 1/20 0.37
APBA1 Q02410 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
F10 P00742 2/20 0.37
F11 P03951 2/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 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
SCHEMBL336692 0.90 F9 (0.45) F9ROCK2F7F3F10
SCHEMBL336042 0.89 F9 (0.48) F9F7F3HTR2CHTR2B
SCHEMBL335293 0.89 F9 (0.48) F9F7F3HTR2CHTR2B
SCHEMBL335336 0.88 F9 (0.47) F9ROCK2F7F3SMN1; SMN2
SCHEMBL335167 0.86 F9 (0.44) F9F7F3MEN1ALDH1A1
SCHEMBL335988 0.86 F9 (0.44) F9F7F3MEN1ALDH1A1
SCHEMBL335731 0.84 F9 (0.47) F9ROCK2F7F3MAPT
SCHEMBL335372 0.84 F9 (0.43) F9F7F3MAPTESRRG
SCHEMBL336541 0.84 ALDH1A1 (0.47) F9F7F3ALDH1A1LMNA
SCHEMBL336900 0.84 F9 (0.47) F9F7F3HTR2CHTR2B

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 F9 3/4885ROCK2 3604/4885F7 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.