SCHEMBL2166606

SCHEMBL2166606

CCCCCCCCCCCCS(=O)(=O)c1ccc2c(c1S(=O)(=O)CCCCCCCCCCCC)C(=O)c1c(O)c(C)c(C)c(O)c1C2=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 5/20 0.39
▸ CTSG P08311 3/20 0.39
▸ THRB P10828 4/20 0.38
▸ EPHX2 P34913 1/20 0.35
▸ SOAT1 P35610 9/20 0.34
▸ THRA P10827 1/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33

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
SCHEMBL2164147 0.88 ELANE (0.43) ELANECTSGTHRBEPHX2SOAT1
SCHEMBL12402099 0.82 THRB (0.40) THRBEPHX2SOAT1THRA
SCHEMBL2903786 0.71 THRB (0.40) THRBEPHX2SOAT1THRA
SCHEMBL2904057 0.71 KDM4E (0.43) THRBEPHX2
SCHEMBL2906943 0.71 KDM4E (0.43) THRBEPHX2
SCHEMBL12402087 0.70 SERPINE1 (0.43) ELANECTSGTHRBEPHX2SOAT1
SCHEMBL10894850 0.69 THRB (0.39) THRBSOAT1THRA
SCHEMBL2164075 0.68 ELANE (0.39) ELANECTSGTHRBSOAT1
SCHEMBL2166798 0.67 LMNA (0.41) ELANECTSG
SCHEMBL12402106 0.66 SERPINE1 (0.39) ELANECTSGTHRBEPHX2SOAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8277695-B2 Reversibly thermochromic compositions BASF SE (DE) 2012-10-02 — — US disclosed
EP-2032657-B1 REVERSIBLY THERMOCHROMIC COMPOSITIONS BASF SE (DE) 2011-08-10 — — EP disclosed
US-20110180767-A1 Reversibly thermochromic compositions CIBA CORPORATION 2011-07-28 — — US disclosed
EP-2032657-A2 REVERSIBLY THERMOCHROMIC COMPOSITIONS Ciba Holding Inc. (CH) 2009-03-11 — — EP disclosed
WO-2007147847-A2 REVERSIBLY THERMOCHROMIC COMPOSITIONS CIBA HOLDING INC. (CH) 2007-12-27 — — WO 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-20110180767-A1 Reversibly thermochromic compositions C1R, C3AR1, C9 ELANE 4215/4885CTSG 4051/4885THRB 217/4885

“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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