SCHEMBL9728996

SCHEMBL9728996

Nc1ccc(NCCOS(=O)(=O)O)c(S(=O)(=O)CCOS(=O)(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALDH1A1 P00352 3/20 0.39
RECQL P46063 3/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
CASP6 P55212 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NSD2 O96028 1/20 0.39
APEX1 P27695 1/20 0.39
APOBEC3A P31941 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ELAVL1 Q15717 1/20 0.37
NT5E P21589 1/20 0.34
PTGER4 P35408 2/20 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
SCHEMBL17774703 0.92 RAPGEF4 (0.39) RAPGEF4HSD17B10ALDH1A1RECQLKDM4E
SCHEMBL17774704 0.90 HSD17B10 (0.37) RAPGEF4HSD17B10ALDH1A1RECQLKDM4E
SCHEMBL9138977 0.88 HSD17B10 (0.44) RAPGEF4HSD17B10ALDH1A1RECQLKDM4E
SCHEMBL17774684 0.86 HSD17B10 (0.39) RAPGEF4HSD17B10ALDH1A1RECQLKDM4E
SCHEMBL9138818 0.85 HSD17B10 (0.43) RAPGEF4HSD17B10ALDH1A1RECQLKDM4E
SCHEMBL7809571 0.83 PTGER4 (0.46) RAPGEF4HSD17B10ALDH1A1RECQLKDM4E
SCHEMBL8951824 0.81 HSD17B10 (0.37) RAPGEF4HSD17B10ALDH1A1RECQLKDM4E
SCHEMBL4816515 0.81 MAPT (0.40) RAPGEF4HSD17B10ALDH1A1RECQLKDM4E
SCHEMBL8745461 0.80 ALDH1A1 (0.42) RAPGEF4HSD17B10ALDH1A1RECQLKDM4E
SCHEMBL10630292 0.79 KMT2A (0.41) RAPGEF4HSD17B10ALDH1A1RECQLKDM4E

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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 US disclosed
US-5093483-A WATER-SOLUBLE AZO COMPOUNDS HAVING A 6-CARBOXY-2-NAPHTHAL AS COUPLING COMPONENTS, SUITABLE AS DYESTUFFS HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-03 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR RAPGEF4 4858/4885HSD17B10 529/4885ALDH1A1 440/4885

“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.