SCHEMBL6161245

SCHEMBL6161245

CC(C)(C)NS(=O)(=O)c1ccc(F)cc1.OBO

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.71
CYP3A4 P08684 1/20 0.71
CYP2C9 P11712 1/20 0.71
MAPK1 P28482 1/20 0.71
MMP1 P03956 2/20 0.53
MMP2 P08253 2/20 0.53
MMP9 P14780 2/20 0.53
MMP13 P45452 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
MMP8 P22894 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MAPT P10636 2/20 0.53
USP30 Q70CQ3 3/20 0.48
NPC1 O15118 2/20 0.46
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL3834643 0.93 ALDH1A1 (0.80) ALDH1A1CYP3A4CYP2C9MAPK1MMP1
SCHEMBL7811320 0.85 ALDH1A1 (0.65) ALDH1A1CYP3A4CYP2C9MAPK1MMP1
SCHEMBL4680184 0.81 MAPT (0.58) ALDH1A1CYP3A4CYP2C9MAPK1MMP1
SCHEMBL14676210 0.77 MMP1 (0.61) ALDH1A1CYP3A4CYP2C9MAPK1MMP1
SCHEMBL1479992 0.77 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9MAPK1CA1
SCHEMBL23345377 0.75 ALDH1A1 (0.67) ALDH1A1CYP3A4CYP2C9MAPK1CA1
SCHEMBL15840367 0.75 ALDH1A1 (0.67) ALDH1A1CYP3A4CYP2C9MAPK1CA1
SCHEMBL634085 0.75 ALDH1A1 (0.79) ALDH1A1CYP3A4CYP2C9MAPK1MMP1
SCHEMBL15946356 0.74 ALDH1A1 (0.56) ALDH1A1CYP3A4CYP2C9MAPK1MMP1
SCHEMBL2408403 0.73 ALDH1A1 (0.59) ALDH1A1CYP3A4CYP2C9MAPK1MMP1

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.