SCHEMBL17774845

SCHEMBL17774845

Nc1ccc(O)c(C(=O)NCCS(=O)(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ CASP1 P29466 2/20 0.47
▸ CASP7 P55210 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ PTGS2 P35354 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TNF P01375 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ HSPD1 P10809 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ KDR P35968 1/20 0.47
▸ BRCA1 P38398 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ HSPE1 P61604 1/20 0.47

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
SCHEMBL12608923 0.85 NAAA (0.62) ALOX5KDM4EPTGS2NAAACDK1
SCHEMBL17774862 0.81 ALOX5 (0.55) ALOX5KDM4EALDH1A1CASP1CASP7
SCHEMBL12041032 0.81 TDP1 (0.51) ALOX5KDM4EALDH1A1CASP1CASP7
SCHEMBL12041021 0.81 NLRP3 (0.48) MEN1CYP2C9KMT2ACYP2D6HTR2A
SCHEMBL9363837 0.80 ALOX5 (0.58) ALOX5KDM4EALDH1A1CASP1CASP7
SCHEMBL10899325 0.80 CYP2D6 (0.40) KDM4EALDH1A1TDP1MEN1CYP3A4
SCHEMBL12041029 0.78 NAAA (0.60) ALOX5KDM4EALDH1A1MEN1HPGD
SCHEMBL17774885 0.78 NAAA (0.74) ALOX5ALDH1A1PTGS2ALOX15NAAA
SCHEMBL17774851 0.78 NAAA (0.74) ALOX5ALDH1A1PTGS2ALOX15NAAA
SCHEMBL9364284 0.78 NAAA (0.65) ALOX5KDM4EALDH1A1PTGS2HPGD

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 ALOX5 195/4885KDM4E 1417/4885ALDH1A1 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.

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