SCHEMBL8219489

SCHEMBL8219489

CC(C)(C)c1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](O)C(=O)Nc2ccc3nc(N)[nH]c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F9 P00740 4/20 0.43
F7 P08709 2/20 0.43
ABL1 P00519 1/20 0.43
FABP6 P51161 1/20 0.43
ACP1 P24666 1/20 0.42
MTTP P55157 1/20 0.41
F11 P03951 1/20 0.41
TYMS P04818 3/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
DGAT1 O75907 1/20 0.40
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
KIT P10721 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL15291369 0.92 ABL1 (0.41) F9F7ABL1FABP6ACP1
SCHEMBL336367 0.91 MAPT (0.47) F9F7ABL1FABP6ACP1
SCHEMBL335878 0.90 ABL1 (0.43) F9F7ABL1FABP6ACP1
SCHEMBL335948 0.90 ABL1 (0.45) F9F7ABL1FABP6ACP1
SCHEMBL336448 0.89 TYMS (0.45) F9F7ABL1FABP6ACP1
SCHEMBL334843 0.89 KDR (0.45) F9F7ABL1FABP6F11
SCHEMBL335526 0.89 ABL1 (0.42) F9F7ABL1FABP6ACP1
SCHEMBL335501 0.89 NPC1 (0.43) F9F7ABL1FABP6ACP1
SCHEMBL335576 0.88 ABL1 (0.43) F9F7ABL1FABP6ACP1
SCHEMBL336586 0.88 GRIN1 (0.44) F9F7ABL1FABP6ACP1

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 5 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 disclosed
US-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 US disclosed
WO-2008031509-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXa INHIBITORS SANOFI-AVENTIS (FR) 2008-03-20 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 F9 3/4885F7 6/4885ABL1 2660/4885

“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.