SCHEMBL8536250

SCHEMBL8536250

CC(Cc1ccccc1)S(=O)(=O)Nc1cc2cccnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 2/20 0.46
RIPK1 Q13546 6/20 0.39
GLO1 Q04760 3/20 0.38
DAO P14920 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
GCK P35557 1/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
SLC40A1 Q9NP59 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
SCHEMBL8533943 0.83 PTGES2 (0.44) PTGES2DAOCYP3A4CYP2D6SLC6A2
SCHEMBL10325728 0.81 IDO1 (0.46) PTGES2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL8533229 0.75 GLO1 (0.62) RIPK1GLO1DAOKDM4EDRD2
SCHEMBL14292147 0.70 CDC25B (0.57) RIPK1DAOKDM4EDRD2DRD4
SCHEMBL24103159 0.67 DAO (0.50) RIPK1DAOMAPT
SCHEMBL17413481 0.66 DRD2 (0.45) RIPK1DAODRD2DRD4DRD3
SCHEMBL6988614 0.66 MET (0.49) RIPK1GLO1DAOSLC40A1
SCHEMBL4734771 0.66 DRD2 (0.47) RIPK1DAODRD2DRD4DRD3
SCHEMBL2113619 0.66 DRD2 (0.53) RIPK1DAODRD2DRD4DRD3
SCHEMBL3492565 0.65 DRD2 (0.58) RIPK1GLO1DAODRD2DRD4

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-9593108-B2 Compounds and methods for antiviral treatment PTC THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT PTC THERAPEUTICS, INC. (US) 2012-05-31 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-20120135999-A1 COMPOUNDS AND METHODS FOR ANTIVIRAL TREATMENT EIF2AK2, MAVS, ZC3HAV1 PTGES2 2477/4885RIPK1 1670/4885GLO1 2881/4885

“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.