SCHEMBL1981102

SCHEMBL1981102

NC(=O)C(CCCNC(=O)CF)NC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 8/20 0.65
PADI1 Q9ULC6 7/20 0.65
PADI2 Q9Y2J8 4/20 0.65
PDE4A P27815 3/20 0.65
PDE4B Q07343 2/20 0.65
PDE4C Q08493 2/20 0.65
PDE4D Q08499 2/20 0.65
PADI3 Q9ULW8 5/20 0.58
PADI6 Q6TGC4 1/20 0.58
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
ROCK2 O75116 1/20 0.45
HPGDS O60760 2/20 0.45
TPSAB1 Q15661 2/20 0.44
KISS1R Q969F8 1/20 0.44
MMP12 P39900 1/20 0.42
C3AR1 Q16581 1/20 0.42

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
SCHEMBL5315735 0.90 PDE4A (0.51) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL1979621 0.88 PADI4 (0.66) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL1979695 0.88 PADI4 (0.62) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL19581174 0.88 PADI4 (0.62) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL158990 0.84 PADI1 (0.60) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL10946109 0.84 PADI1 (0.60) PADI4PADI1PADI2PDE4APDE4B
Trifluoroacetic Acid SCHEMBL18730598 0.83 PADI4 (0.66) PADI4PADI1PADI2PDE4APDE4B
Hydrochloric Acid SCHEMBL29401072 0.82 PADI1 (0.58) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL13969386 0.81 ALB (0.53) PADI4PADI1PADI2PDE4APDE4B
SCHEMBL20138329 0.81 PADI4 (0.63) PADI4PADI1PADI2PDE4APDE4B

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
US-7964636-B2 Synthesis and use of novel inhibitors and inactivators of protein arginine deiminases UNIVERSITY OF SOUTH CAROLINA (US) 2011-06-21 US disclosed
US-20090306153-A1 SYNTHESIS AND USE OF NOVEL INHIBITORS AND INACTIVATORS OF PROTEIN ARGININE DEIMINASES UNIVERSITY OF SOUTH CAROLINA (US) 2009-12-10 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-20090306153-A1 SYNTHESIS AND USE OF NOVEL INHIBITORS AND INACTIVATORS OF PROTEIN ARGININE DEIMINASES PADI1, PADI4, PADI2 PADI4 2/4885PADI1 1/4885PADI2 3/4885

“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.