SCHEMBL8533943

SCHEMBL8533943

CC(Cc1ccccc1)S(=O)(=O)Nc1cc2ncccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 3/20 0.44
ATAD2 Q6PL18 1/20 0.39
CYP2D6 P10635 3/20 0.37
CYP3A4 P08684 2/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
DAO P14920 1/20 0.36
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
IDH1 O75874 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
CYP1A2 P05177 2/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL8536250 0.83 PTGES2 (0.46) PTGES2CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL10325728 0.77 IDO1 (0.46) PTGES2CYP2D6CYP3A4SLC6A2SLC6A4
SCHEMBL25774148 0.68 ATAD2 (0.53) ATAD2DAOKDM4ECYP1A2MAPT
SCHEMBL23806232 0.67 ATAD2 (0.49) ATAD2DAOKDM4EPOLBIDH1
SCHEMBL19514185 0.67 KDM5B (0.54) ATAD2DAOKDM4ESMN1; SMN2ALDH1A1
SCHEMBL19231057 0.66 KDM5A (0.55) ATAD2DAOKDM4ETAAR1SMN1; SMN2
SCHEMBL30051860 0.65 DAO (0.46) ATAD2DAOKDM4EMAPTSMN1; SMN2
SCHEMBL28235500 0.65 DAO (0.49) ATAD2DAOKDM4ECYP1A2MAPT
SCHEMBL1587550 0.63 DAO (0.47) ATAD2DAOCYP1A2MAPTSMN1; SMN2
SCHEMBL13958698 0.63 DAO (0.44) ATAD2DAOMAPTSMN1; SMN2PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2477/4885ATAD2 2078/4885CYP2D6 3637/4885

“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.