SCHEMBL17774646

SCHEMBL17774646

Nc1ccc(N2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
GAA P10253 3/20 0.60
POLB P06746 2/20 0.58
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
KDM4E B2RXH2 3/20 0.54
HTT P42858 1/20 0.54
ALDH1A1 P00352 5/20 0.50
HPGD P15428 2/20 0.49
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 1/20 0.46
PKM P14618 1/20 0.45
USP2 O75604 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL17774644 0.94 KDM4E (0.55) MAPTSMN1; SMN2GAAPOLBMEN1
SCHEMBL17774676 0.94 KDM4E (0.62) MAPTSMN1; SMN2GAAPOLBMEN1
SCHEMBL17774693 0.93 KDM4E (0.57) MAPTSMN1; SMN2GAAPOLBMEN1
SCHEMBL17774627 0.93 KDM4E (0.64) MAPTSMN1; SMN2GAAPOLBMEN1
SCHEMBL17774636 0.91 HTT (0.67) MAPTSMN1; SMN2GAAPOLBMEN1
SCHEMBL10942684 0.85 MAPT (0.59) MAPTSMN1; SMN2GAAPOLBMEN1
SCHEMBL11016468 0.84 MAPT (0.58) MAPTSMN1; SMN2GAAPOLBMEN1
SCHEMBL15652359 0.84 MAPT (0.58) MAPTSMN1; SMN2GAAPOLBMEN1
SCHEMBL17774650 0.83 ALDH1A1 (0.59) MAPTSMN1; SMN2GAAPOLBMEN1
SCHEMBL17774616 0.82 ALDH1A1 (0.62) MAPTSMN1; SMN2GAAPOLBMEN1

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 3 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-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

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 MAPT 2197/4885SMN1; SMN2 1805/4885GAA 872/4885

“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.