SCHEMBL6078635

SCHEMBL6078635

CCOC(C(=O)NCc1ccc(C(=N)N)cc1)N1C(=O)c2ccc(C(C)(C)C)cc2C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.43
TNF P01375 1/20 0.41
EPHX2 P34913 4/20 0.40
NR1H4 Q96RI1 4/20 0.40
KLKB1 P03952 3/20 0.39
F2 P00734 4/20 0.39
F10 P00742 2/20 0.39
PRSS1 P07477 1/20 0.39
F7 P08709 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
PLG P00747 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 1/20 0.37
MASP2 O00187 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
SCHEMBL6078642 1.00 ST14 (0.43) ST14TNFEPHX2NR1H4KLKB1
SCHEMBL6030555 0.88 F2 (0.43) ST14KLKB1F2F10PRSS1
SCHEMBL6030558 0.88 F2 (0.43) ST14KLKB1F2F10PRSS1
Acetic Acid SCHEMBL6030799 0.84 F2 (0.46) ST14F2F10PRSS1F7
SCHEMBL6079071 0.80 F2 (0.42) ST14KLKB1F2F10PRSS1
SCHEMBL6030111 0.80 F2 (0.42) ST14KLKB1F2F10PRSS1
SCHEMBL6078724 0.79 ST14 (0.45) ST14F2F10PRSS1F7
SCHEMBL6031886 0.79 ST14 (0.45) ST14F2F10PRSS1F7
SCHEMBL6076925 0.78 ST14 (0.41) ST14KLKB1F2F10PRSS1
SCHEMBL6076940 0.78 ST14 (0.41) ST14KLKB1F2F10PRSS1

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
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US claimed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US claimed
US-7056932-B2 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMAN-LA ROCHE INC. (US) 2006-06-06 US disclosed
US-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides HOFFMANN-LA ROCHE INC. 2005-06-23 US 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-20050137168-A1 Heterocyclyl substituted 1-alkoxy acetic acid amides F12, TFPI, F11 ST14 858/4885TNF 90/4885EPHX2 962/4885

“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.