SCHEMBL2164147

SCHEMBL2164147

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 4/20 0.43
▸ CTSG P08311 4/20 0.43
▸ THRB P10828 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ RAF1 P04049 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ APEX1 P27695 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ BRCA1 P38398 1/20 0.42
▸ RAD52 P43351 1/20 0.42
▸ RECQL P46063 1/20 0.42

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
SCHEMBL2166606 0.88 ELANE (0.39) ELANECTSGTHRBEPHX2SOAT1
SCHEMBL12402087 0.82 SERPINE1 (0.43) ELANECTSGTHRBMEN1MAPT
SCHEMBL12402106 0.78 SERPINE1 (0.39) ELANECTSGTHRBMEN1MAPT
SCHEMBL14106873 0.70 MEN1 (0.49) THRBMEN1ALDH1A1MAPTKMT2A
SCHEMBL14452078 0.70 MEN1 (0.49) THRBMEN1ALDH1A1MAPTKMT2A
SCHEMBL11693045 0.68 EPHX2 (0.66) THRBMEN1ALDH1A1MAPTRECQL
SCHEMBL2903786 0.68 THRB (0.40) THRBEPHX2SOAT1THRA
SCHEMBL12402099 0.68 THRB (0.40) THRBEPHX2SOAT1THRA
SCHEMBL2906943 0.68 KDM4E (0.43) THRBKDM4EALDH1A1MAPTEPHX2
SCHEMBL2904057 0.68 KDM4E (0.43) THRBKDM4EALDH1A1MAPTEPHX2

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.

Send feedback