SCHEMBL17774542

SCHEMBL17774542

CCN(c1ccc(S(=O)(=O)O)cc1)S(=O)(=O)c1cc(N)cc(Cl)c1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 2/20 0.59
▸ ESR1 P03372 5/20 0.47
▸ LMNA P02545 3/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC11 Q96DB2 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ NT5E P21589 1/20 0.36
▸ NSD2 O96028 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ESR2 Q92731 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
SCHEMBL11686703 0.81 ACLY (0.46) ACLYESR1LMNAS1PR4RAB9A
Methane SCHEMBL11680886 0.75 ESR1 (0.62) ESR1ALDH1A1NR1H2NR1H3TSHR
SCHEMBL21930907 0.74 ACLY (1.00) ACLYESR1LMNA
SCHEMBL17774556 0.71 THRB (0.58) ACLYALDH1A1TSHRNT5ENSD2
SCHEMBL11606316 0.69 LMNA (0.53) ACLYESR1LMNAS1PR4RAB9A
SCHEMBL5472405 0.67 CNR2 (0.51) ACLYESR1LMNAALDH1A1SMN1; SMN2
SCHEMBL14600038 0.67 HSD11B1 (0.71) HSD11B1
SCHEMBL11686420 0.67 ESR1 (0.46) ESR1LMNAS1PR4RAB9AALDH1A1
SCHEMBL17774547 0.67 THRB (0.56) ACLYALDH1A1TSHRRECQLTDP1
SCHEMBL5622841 0.65 ESR1 (1.00) ESR1NR1H2NR1H3TSHRESR2

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 ACLY 799/4885ESR1 2860/4885LMNA 319/4885

“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.

Send feedback