SCHEMBL6021052

SCHEMBL6021052

CSCC(NC(=O)Nc1ccc(Oc2ccccc2)cc1)C(=O)NCC#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPY5R Q15761 1/20 0.50
CTSS P25774 3/20 0.49
CTSL P07711 3/20 0.49
CTSK P43235 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
TACR2 P21452 5/20 0.47
FPR2 P25090 1/20 0.46
CTSB P07858 1/20 0.46
HPGD P15428 2/20 0.45
UTS2R Q9UKP6 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL6021018 0.91 TACR2 (0.49) MAPK1CYP2C9CYP2C19NPY5RSMN1; SMN2
SCHEMBL6020544 0.88 CTSS (0.52) CTSSCTSLCTSKCTSB
SCHEMBL6019799 0.88 CTSS (0.62) CTSSCTSLCTSKTACR2FPR2
SCHEMBL6021300 0.86 CTSS (0.49) MAPK1CYP2C9CYP2C19NPY5RCTSS
SCHEMBL6020401 0.84 FPR2 (0.55) SMN1; SMN2FPR2HPGDRAB9ANPC1
SCHEMBL6019783 0.84 CTSL (0.62) CTSSCTSLCTSKTACR2FPR2
SCHEMBL6020445 0.83 SAE1 (0.48) MAPK1CTSSCTSLCTSKSMN1; SMN2
SCHEMBL6020631 0.83 CTSS (0.64) CTSSCTSLCTSKTACR2FPR2
SCHEMBL6021011 0.81 CYP2C9 (0.50) MAPK1CYP2C9CYP2C19NPY5RCTSS
SCHEMBL6020227 0.81 FPR2 (0.54) CTSSCTSLCTSKSMN1; SMN2FPR2

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 MAPK1 4315/4885CYP2C9 2146/4885CYP2C19 3832/4885

“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.