SCHEMBL4024448

SCHEMBL4024448

COC(=O)c1nc(-c2sccc2NS(=O)(=O)Cc2ccccc2)n(C)c(=O)c1OC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.39
PRSS1 P07477 9/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
F10 P00742 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4026959 0.81 ERCC1 (0.51) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL4026962 0.79 F2 (0.39) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL4028309 0.77 ALDH1A1 (0.34) ALDH1A1MAPT
SCHEMBL6620304 0.74 ERCC1 (0.53)
SCHEMBL4028108 0.74 ALDH1A1 (0.35) ALDH1A1MAPT
SCHEMBL6631262 0.71 SMN1; SMN2 (0.33) ALDH1A1
SCHEMBL4027808 0.70 DHFR (0.31)
SCHEMBL4029058 0.68 ERCC1 (0.36) ALDH1A1MAPT
SCHEMBL4028095 0.67 GABRP (0.32) ALDH1A1MAPT
SCHEMBL4033336 0.67 ACKR3 (0.39) ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470113-B1 PYRIMIDINONE VIRAL POLYMERASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2009-01-07 EP disclosed
US-20050130997-A1 Pyrimidinone viral polymerase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2005-06-16 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-20050130997-A1 Pyrimidinone viral polymerase inhibitors POLR2A, POLR1E, POLR2E F2 639/4885PRSS1 96/4885PRSS2 400/4885

“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.