SCHEMBL6161252

SCHEMBL6161252

CC(C)(C)NS(=O)(=O)c1ccc(F)cc1OBOc1cc(F)ccc1S(=O)(=O)NC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.36
USP2 O75604 1/20 0.36
ALOX5AP P20292 5/20 0.35
FEN1 P39748 5/20 0.35
NSD2 O96028 2/20 0.35
BRD4 O60885 2/20 0.34
PARG Q86W56 1/20 0.34

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
SCHEMBL2937382 0.82 LMNA (0.39) ALDH1A1MAPK1SMN1; SMN2KMT2AMEN1
SCHEMBL1799288 0.81 NSD2 (0.45) ALDH1A1CYP3A4CYP2C9MAPK1SMN1; SMN2
SCHEMBL8034998 0.79 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9MAPK1SMN1; SMN2
SCHEMBL24429412 0.77 CCR2 (0.50) ALDH1A1CYP3A4CYP2C9MAPK1SMN1; SMN2
SCHEMBL8023235 0.76 MCL1 (0.51) ALDH1A1CYP3A4CYP2C9MAPK1SMN1; SMN2
SCHEMBL24429345 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4CYP2C9MAPK1SMN1; SMN2
SCHEMBL2936510 0.74 ALPL (0.44) ALDH1A1CYP3A4MAPK1SMN1; SMN2KMT2A
SCHEMBL337814 0.73 FFAR1 (0.40) SMN1; SMN2KMT2AMAPTHTTCYP2D6
SCHEMBL2929280 0.72 ALDH1A1 (0.45) ALDH1A1CYP3A4CYP2C9MAPK1SMN1; SMN2
SCHEMBL12932911 0.71 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9MAPK1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
US-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof LG CHEM INVESTMENT LTD. (KR) 2003-04-03 US disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 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-20030065176-A1 Factor xa inhibitors with aryl-amidines and derivatives, and prodrugs thereof F2, F12, TFPI ALDH1A1 1388/4885CYP3A4 114/4885CYP2C9 37/4885

“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.