SCHEMBL6360697

SCHEMBL6360697

CC(=O)NNc1cccc(S(=O)(=O)NNC(C)=O)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 1/20 0.63
CYP3A4 P08684 1/20 0.51
ALOX5 P09917 1/20 0.51
TSHR P16473 1/20 0.51
IDO1 P14902 6/20 0.50
APOBEC3G Q9HC16 1/20 0.50
PKM P14618 1/20 0.47
GAA P10253 4/20 0.43
KAT6A Q92794 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
LMNA P02545 1/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.41

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
SCHEMBL892453 0.84 TSHR (0.55) BCAT1CYP3A4ALOX5TSHRIDO1
SCHEMBL9733160 0.78 BCAT1 (1.00) BCAT1IDO1GAAKAT6ASMN1; SMN2
SCHEMBL6362188 0.75 ALOX5 (0.69) BCAT1ALOX5GAASMN1; SMN2THRB
SCHEMBL5708790 0.74 ALDH1A1 (0.69) CYP3A4ALOX5TSHRGAASMN1; SMN2
SCHEMBL8648511 0.73 GAA (0.76) CYP3A4ALOX5TSHRIDO1APOBEC3G
SCHEMBL28032785 0.71 CYP3A4 (0.60) CYP3A4ALOX5TSHRIDO1GAA
SCHEMBL10153739 0.71 PKM (0.63) PKMGAASMN1; SMN2LMNAKDM4E
SCHEMBL27625271 0.70 CYP3A4 (0.63) CYP3A4ALOX5TSHRSMN1; SMN2
SCHEMBL588131 0.69 ALOX5 (1.00) CYP3A4ALOX5TSHRGAASMN1; SMN2
SCHEMBL425872 0.69 ALOX5 (1.00) CYP3A4ALOX5TSHRGAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6960686-B2 Preparation and purification of antiviral disulfonic acid disodium salt WYETH (US) 2005-11-01 US disclosed
US-20050038026-A1 Preparation and purification of antiviral disulfonic acid disodium salt WYETH (US) 2005-02-17 US disclosed
US-6806366-B2 SUCH AS 2-((4-(4-(4-(BIS-CARBAMOYLMETHYL-SULFAMOYL)-BENZYL) -6-CHLORO-(1,3,5)TRIAZIN-2-YLMETHYL)-BENZENESULFONYL)-CARBAMOYL METHYL-AMINO)ACETAMIDE; PRECIPITATION; CRYSTALLIZATION WYETH 2004-10-19 US disclosed
US-20020151548-A1 Preparation and purification of antiviral disulfonic acid disodium salt AMERICAN HOME PRODUCTS CORPORATION (US) 2002-10-17 US disclosed
WO-2002062769-A2 PREPARATION AND PURIFICATION OF ANTIVIRAL DISULFONIC ACID DISODIUM SALT WYETH (US) 2002-08-15 WO 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-20020151548-A1 Preparation and purification of antiviral disulfonic acid disodium salt SAMHD1, DUS2, MPST BCAT1 1081/4885CYP3A4 1311/4885ALOX5 4642/4885
US-20050038026-A1 Preparation and purification of antiviral disulfonic acid disodium salt DUS2, SAMHD1, EIF2AK2 BCAT1 1031/4885CYP3A4 1787/4885ALOX5 4571/4885

“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.