SCHEMBL5160629

SCHEMBL5160629

Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.62
TSHR P16473 2/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 3/20 0.55
GAA P10253 2/20 0.55
FFAR4 Q5NUL3 2/20 0.54
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CYTH2 Q99418 1/20 0.50
POLB P06746 2/20 0.47
USP2 O75604 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NOD2 Q9HC29 1/20 0.47
L3MBTL1 Q9Y468 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
SCHEMBL9164476 0.92 NLRP3 (0.67) NLRP3TSHRALDH1A1LMNAGAA
SCHEMBL10884844 0.85 TSHR (0.73) TSHRALDH1A1LMNAGAAFFAR4
SCHEMBL27183162 0.81 NLRP3 (0.43) NLRP3TSHRALDH1A1LMNAFFAR4
SCHEMBL12462804 0.78 KMT2A (0.53) NLRP3TSHRALDH1A1LMNAKMT2A
SCHEMBL15779688 0.78 ALDH1A1 (0.59) TSHRALDH1A1LMNAGAAFFAR4
SCHEMBL16830242 0.78 TSHR (0.68) TSHRALDH1A1LMNAFFAR4KMT2A
SCHEMBL20421278 0.77 HSD17B2 (0.45) NLRP3TSHRALDH1A1LMNAGAA
SCHEMBL5162165 0.76 TSHR (0.57) TSHRALDH1A1LMNAGAAFFAR4
SCHEMBL2434886 0.75 GAA (0.55) NLRP3ALDH1A1LMNAGAAFFAR4
SCHEMBL5161205 0.75 TSHR (0.55) TSHRALDH1A1LMNAGAAFFAR4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers L'OREAL S.A. (FR) 2007-03-01 US disclosed
EP-1757579-A1 Primary 2,6-disubstituted para-phenylenediamines and their uses for dyeing keratin fibres L'Oréal (FR) 2007-02-28 EP 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-20070044254-A1 Novel 2,6-disubstituted primary para-phenylenediamines and process for their use in the oxidation dyeing of keratin fibers KRT18, DSP, CDC73 NLRP3 3857/4885TSHR 4704/4885ALDH1A1 159/4885

“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.