SCHEMBL9879136

SCHEMBL9879136

Nc1ccc(NCCCO)c(S(=O)(=O)CCO)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.42
CA2 P00918 9/20 0.41
RAPGEF4 Q8WZA2 1/20 0.39
ALDH1A1 P00352 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
RECQL P46063 2/20 0.38
CASP6 P55212 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NSD2 O96028 1/20 0.38
APEX1 P27695 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ELAVL1 Q15717 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
SCHEMBL8164756 0.91 CA2 (0.43) CA2RAPGEF4ALDH1A1SMN1; SMN2MAPT
SCHEMBL17774691 0.91 POLB (0.41) CA2RAPGEF4ALDH1A1MAPTKDM4E
SCHEMBL17774690 0.91 CA2 (0.39) CYP19A1CA2RAPGEF4ALDH1A1SMN1; SMN2
SCHEMBL9878790 0.89 CA2 (0.41) CA2RAPGEF4ALDH1A1MAPTKDM4E
SCHEMBL10389511 0.87 CYP2D6 (0.42) CYP19A1CA2RAPGEF4ALDH1A1MAPT
SCHEMBL17774677 0.87 CA2 (0.40) CYP19A1CA2RAPGEF4ALDH1A1SMN1; SMN2
SCHEMBL17774706 0.86 RECQL (0.45) CA2RAPGEF4ALDH1A1SMN1; SMN2MAPT
SCHEMBL10899520 0.86 SMN1; SMN2 (0.37) CYP19A1CA2RAPGEF4ALDH1A1SMN1; SMN2
SCHEMBL10576785 0.85 RAPGEF4 (0.55) CYP19A1RAPGEF4ALDH1A1SMN1; SMN2MAPT
SCHEMBL10630292 0.84 KMT2A (0.41) CA2RAPGEF4ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872822-B2 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) 2018-01-23 US disclosed
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-4992589-A Substituted phenyl hydroxyethyl sulfones, and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1991-02-12 US disclosed
EP-0245603-B1 AROMATIC AMINOSULFONE COMPOUNDS AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1990-11-07 EP disclosed
US-4851527-A Water-soluble triphendioxazine compounds HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-25 US disclosed
US-4785098-A BLUE DYES FOR CELLULOSE HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-15 US disclosed
EP-0245603-A2 Aromatic aminosulfone compounds and process for their preparation BAYER AG (DE) 1987-11-19 EP disclosed
US-4577015-A Triphendioxazine vinyl sulphone dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1986-03-18 US disclosed
EP-0153599-A2 Triphenedioxazine vinylsulfonyl dyestuffs BAYER AG (DE) 1985-09-04 EP 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 CYP19A1 824/4885CA2 86/4885RAPGEF4 4858/4885

“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.