SCHEMBL9922392

SCHEMBL9922392

O=C(Nc1ccc(-c2c[nH]c3ccccc3c2=O)c(I)c1)NS(=O)(=O)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.42
MAOB P27338 1/20 0.41
FBP1 P09467 1/20 0.39
STING1 Q86WV6 3/20 0.38
PTGER3 P43115 2/20 0.37
CFTR P13569 6/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GOT1 P17174 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL12161697 0.91 MAOB (0.46) P2RY12MAOBFBP1STING1PTGER3
SCHEMBL13182872 0.90 STING1 (0.42) MAOBSTING1CFTRLMNAMAPT
SCHEMBL9922655 0.90 P2RY12 (0.47) P2RY12MAOBFBP1STING1PTGER3
SCHEMBL14113780 0.87 MEN1 (0.46) P2RY12FBP1LMNAMAPTMEN1
SCHEMBL9922954 0.86 P2RY12 (0.44) P2RY12MAOBFBP1STING1PTGER3
SCHEMBL12177423 0.82 STING1 (0.46) P2RY12MAOBSTING1CFTRLMNA
SCHEMBL9922557 0.82 FBP1 (0.45) P2RY12MAOBFBP1STING1PTGER3
SCHEMBL9922654 0.80 P2RY12 (0.44) P2RY12MAOBFBP1STING1LMNA
SCHEMBL13633804 0.80 P2RY12 (0.43) P2RY12FBP1STING1LMNAMAPT
SCHEMBL9922563 0.79 P2RY12 (0.49) P2RY12FBP1STING1LMNAMAPT

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-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
US-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2008-08-14 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 (2 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-20080194597-A1 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PIGS, GP6, ASGR1 P2RY12 89/4885MAOB 3086/4885FBP1 3837/4885
US-20120149688-A1 PLATELET ADP RECEPTOR INHIBITORS TBXA2R, GP6, P2RY6 P2RY12 18/4885MAOB 3495/4885FBP1 1579/4885

“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.