SCHEMBL989406

SCHEMBL989406

Cc1ccc(S(=O)(=O)C2CC(C(=O)O)C2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TSHR P16473 1/20 0.51
ELOVL6 Q9H5J4 1/20 0.48
MEN1 O00255 1/20 0.48
CYP2C9 P11712 1/20 0.48
KMT2A Q03164 1/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
POLB P06746 1/20 0.44
TAS2R14 Q9NYV8 2/20 0.43
S1PR1 P21453 1/20 0.42
S1PR5 Q9H228 1/20 0.42
RECQL P46063 1/20 0.41
MMP2 P08253 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
USP2 O75604 1/20 0.40

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
SCHEMBL28664104 0.86 TSHR (0.63) ALDH1A1TSHRELOVL6MEN1CYP2C9
SCHEMBL30393372 0.85 ALDH1A1 (0.61) ALDH1A1TSHRELOVL6MEN1CYP2C9
SCHEMBL988913 0.82 MMP2 (0.46) ALDH1A1TSHRELOVL6MEN1KMT2A
SCHEMBL4165100 0.80 ELOVL6 (0.49) ALDH1A1TSHRELOVL6MEN1KMT2A
SCHEMBL2609220 0.79 POLB (0.45) ALDH1A1TSHRELOVL6MEN1CYP2C9
SCHEMBL17505844 0.77 CTSS (0.45) ALDH1A1TSHRELOVL6MEN1CYP2C9
SCHEMBL13691537 0.76 CA1 (0.52) ALDH1A1TSHRELOVL6MEN1CYP2C9
SCHEMBL22553706 0.76 CYP2D6 (0.52) ALDH1A1TSHRMEN1CYP2C9KMT2A
SCHEMBL989553 0.76 CYP2D6 (0.52) ALDH1A1TSHRMEN1CYP2C9KMT2A
SCHEMBL5761130 0.75 GAA (0.52) ALDH1A1TSHRMEN1CYP2C9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 US disclosed
EP-2454230-A1 RADIOLABELLING METHOD USING CYCLOALKYL GROUPS Bayer Pharma Aktiengesellschaft (DE) 2012-05-23 EP disclosed
WO-2011006621-A1 RADIOLABELLING METHOD USING CYCLOALKYL GROUPS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-20 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-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups TMEM14C, PAICS, QPCT ALDH1A1 3286/4885TSHR 1620/4885ELOVL6 1190/4885

“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.