SCHEMBL6019422

SCHEMBL6019422

N#CCCNC(=O)C(Cc1ccc(O)cc1)NC(=S)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.46
CTSS P25774 2/20 0.45
CTSK P43235 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
PLA2G1B P04054 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
FPR1 P21462 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CTSL P07711 1/20 0.42
USP30 Q70CQ3 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM3 P20309 1/20 0.41
KLKB1 P03952 1/20 0.41
ADCY6 O43306 1/20 0.41
ADCY3 O60266 1/20 0.41
ADCY9 O60503 1/20 0.41

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
SCHEMBL6020475 0.92 FPR2 (0.56) FPR2CTSSCTSKCA1CA2
SCHEMBL6020026 0.91 FPR2 (0.57) FPR2CTSSCTSKFPR1CHRM2
SCHEMBL6020237 0.91 CTSS (0.56) FPR2CTSSCTSKCA1CA2
SCHEMBL6020728 0.88 CA1 (0.46) FPR2CTSSCTSKCA1CA2
SCHEMBL6020811 0.88 FPR2 (0.53) FPR2CTSSCTSKCA1CA2
SCHEMBL6020384 0.88 CTSS (0.49) FPR2CTSSCTSKMAPTLMNA
SCHEMBL6019837 0.85 CTSL (0.55) CTSSCTSKCA1CA2CTSL
SCHEMBL6020867 0.84 LMNA (0.47) FPR2CTSSCTSKMAPTLMNA
SCHEMBL6020299 0.83 FPR2 (0.59) FPR2CTSSCTSKMAPTLMNA
SCHEMBL6020542 0.83 LMNA (0.46) FPR2CTSSCTSKMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US claimed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP claimed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO claimed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO claimed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP claimed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP claimed
US-20060252813-A1 Apparatus for curing a composite laminate JERINI AG (DE) 2006-11-09 US disclosed
EP-1575903-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES Jerini AG (DE) 2005-09-21 EP disclosed
WO-2004065353-A1 COMPOUNDS FOR THE INHIBITION OF ROTAMASES JERINI AG (DE) 2004-08-05 WO disclosed
WO-2004056755-A2 COMPOUNDS FOR THE INHIBITION OF NON-PROTEOLYTIC ENZYMES JERENI AG (DE) 2004-07-08 WO disclosed
EP-1433778-A1 Use of nitriles as rotamase inhibitors Jerini AG (DE) 2004-06-30 EP disclosed
EP-1433779-A1 Use of nitriles as inhibitors of non-proteolytic enzymes Jerini AG (DE) 2004-06-30 EP 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-20060252813-A1 Apparatus for curing a composite laminate DHX29, HDHD5, DHRS9 FPR2 3247/4885CTSS 2720/4885CTSK 2529/4885

“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.