SCHEMBL17774657

SCHEMBL17774657

CC1CCCN(c2ccc(N)cc2S(=O)(=O)N(C)C)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
HTT P42858 4/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 8/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
MAPT P10636 9/20 0.40
NPSR1 Q6W5P4 3/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
APOBEC3G Q9HC16 1/20 0.39
TP53 P04637 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL17774679 0.87 GAA (0.55) GAAHTTKDM4EALDH1A1CYP1A2
SCHEMBL17774601 0.85 ALDH1A1 (0.57) GAAHTTKDM4EALDH1A1CYP1A2
SCHEMBL17774584 0.84 ALDH1A1 (0.61) GAAHTTKDM4EALDH1A1CYP1A2
SCHEMBL17774554 0.83 ALDH1A1 (0.64) GAAHTTKDM4EALDH1A1CYP1A2
SCHEMBL17774586 0.83 ALDH1A1 (0.64) GAAHTTKDM4EALDH1A1CYP1A2
SCHEMBL17774621 0.78 NPSR1 (0.53) GAAHTTKDM4EALDH1A1CYP1A2
SCHEMBL17774610 0.77 MAPT (0.54) GAAHTTKDM4EALDH1A1CYP1A2
SCHEMBL17774643 0.77 GFER (0.57) HTTALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17774642 0.76 MAPT (0.54) GAAHTTKDM4EALDH1A1CYP1A2
SCHEMBL17774574 0.76 ALDH1A1 (0.48) GAAKDM4EALDH1A1CYP1A2CYP3A4

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 4 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
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 GAA 872/4885HTT 4143/4885KDM4E 1417/4885

“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.