SCHEMBL6019640

SCHEMBL6019640

CS(=O)(=O)CC(NC(=O)Nc1ccc(C#N)cc1)C(=O)NCCC#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
FPR2 P25090 12/20 0.41
FPR1 P21462 9/20 0.41
CNR1 P21554 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
NLRP3 Q96P20 1/20 0.40
NAMPT P43490 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6020567 0.90 CTSB (0.47) CA12CA1CA2CA9SAE1
SCHEMBL6021520 0.88 CTSB (0.44) CA12CA1CA2CA9FPR2
SCHEMBL6020280 0.86 FPR2 (0.54) CA12CA1CA2CA9FPR2
SCHEMBL6023465 0.85 FPR1 (0.45) CA12CA1CA2CA9FPR2
SCHEMBL6020191 0.85 SAE1 (0.45) SAE1UBA2FPR2FPR1CNR1
SCHEMBL6023449 0.85 TACR2 (0.47) CA12CA1CA2CA9LMNA
SCHEMBL6021372 0.84 FPR2 (0.41) FPR2MAPTRAB9A
SCHEMBL6021319 0.84 FPR2 (0.48) FPR2NAMPTPOLBRAB9A
SCHEMBL6021278 0.82 NPC1 (0.43) CA12CA1CA2CA9MEN1
SCHEMBL6020314 0.81 HTT (0.51) LMNAMAPTHTTMEN1POLB

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 CA12 2541/4885CA1 1403/4885CA2 2390/4885

“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.