SCHEMBL17774580

SCHEMBL17774580

CC1CCCCN1c1ccc(N)cc1S(N)(=O)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.61
SMARCA2 P51531 7/20 0.44
SMARCA4 P51532 7/20 0.44
PBRM1 Q86U86 7/20 0.44
NR1I2 O75469 5/20 0.44
NR1H3 Q13133 2/20 0.44
NR1H2 P55055 2/20 0.44
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 5/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL17774687 0.87 GFER (0.58) GFERSMARCA2SMARCA4PBRM1NR1I2
SCHEMBL17774643 0.86 GFER (0.57) GFERSMARCA2SMARCA4PBRM1NR1I2
SCHEMBL17774669 0.83 GFER (0.54) GFERSMARCA2SMARCA4PBRM1NR1I2
SCHEMBL9983954 0.77 GFER (0.63) GFERSMARCA2SMARCA4PBRM1NR1I2
SCHEMBL14322837 0.77 PBRM1 (0.45) GFERSMARCA2SMARCA4PBRM1NR1I2
SCHEMBL17774587 0.76 MAPT (0.57) GFERALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL11107477 0.76 GFER (0.81) GFERSMARCA2SMARCA4PBRM1NR1I2
SCHEMBL17774553 0.75 MAPT (0.59) GFERALDH1A1MAPTTP53CYP1A2
SCHEMBL17774624 0.75 MAPT (0.59) GFERALDH1A1MAPTTP53CYP1A2
SCHEMBL17774685 0.74 AKR1C3 (0.48) GFERALDH1A1MAPTPOLBNPSR1

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-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 GFER 56/4885SMARCA2 1534/4885SMARCA4 2090/4885

“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.