SCHEMBL5628892

SCHEMBL5628892

NC(=O)C1NC2C=CC=CC2S1.NCc1cccc(C(=O)N(CC(=O)O)c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.35
F2 P00734 4/20 0.34
F10 P00742 1/20 0.33
LOXL2 Q9Y4K0 2/20 0.32
ACHE P22303 1/20 0.32
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
CFD P00746 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL5205927 0.90 LOXL2 (0.34) ADRA2CF2F10LOXL2KMT2A
SCHEMBL5208096 0.89 KMT2A (0.36) KMT2AGAA
Trifluoroacetic Acid SCHEMBL5209569 0.85 F2 (0.31) F2
SCHEMBL6998943 0.84 OPRM1 (0.33) ADRA2CLOXL2KMT2AL3MBTL1CFD
SCHEMBL5210877 0.80 ADRA2C (0.52) ADRA2CF2LOXL2ACHEKMT2A
Trifluoroacetic Acid SCHEMBL5209705 0.78 F2 (0.33) ADRA2CF2F10ACHE
SCHEMBL5204891 0.78 KMT2A (0.33) ADRA2CF2F10KMT2A
Trifluoroacetic Acid SCHEMBL5206988 0.77 FOLH1 (0.35) ADRA2CF2F10ACHEOPRM1
Trifluoroacetic Acid SCHEMBL5629214 0.76 F2 (0.32) ADRA2CF2F10ACHE
SCHEMBL5208588 0.76 F2 (0.34) ADRA2CF2F10LOXL2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed
US-20050215587-A1 Serine protease inhibitors LIVELY SARAH E 2005-09-29 US disclosed
US-6916957-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2005-07-12 US disclosed
US-20030018059-A1 Serine protease inhibitors PROTHERICS MOLECULAR DESIGN LIMITED (GB) 2003-01-23 US disclosed
EP-1240154-A1 SERINE PROTEASE INHIBITORS Tularik Limited (GB) 2002-09-18 EP disclosed
WO-2001044226-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2001-06-21 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 (2 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-20050215587-A1 Serine protease inhibitors PRSS1, TPSAB1, CMA1 ADRA2C 2090/4885F2 69/4885F10 116/4885
US-20030018059-A1 Serine protease inhibitors TPSAB1, PRSS1, SERPINB1 ADRA2C 2451/4885F2 122/4885F10 149/4885

“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.