SCHEMBL12147443

SCHEMBL12147443

CC(C)c1ccc2c(c1)S(=O)(=O)C(C)(C)C2(C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KARS1 Q15046 3/20 0.35
RXRA P19793 1/20 0.35
CCNE1 P24864 1/20 0.35
CDK2 P24941 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
RNASEH1 O60930 1/20 0.35
HPGD P15428 2/20 0.35
GFER P55789 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDK2 Q15119 1/20 0.35
CYP3A4 P08684 2/20 0.34
LMNA P02545 2/20 0.34
TRPA1 O75762 1/20 0.34
PTGS1 P23219 1/20 0.34
CACNA1C Q13936 1/20 0.34

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
SCHEMBL12147005 0.78 PTGDR2 (0.39) TYRPTGDR2KARS1RXRACCNE1
SCHEMBL13384242 0.70 HPGD (0.38) TYRMEN1KMT2AKARS1RXRA
SCHEMBL12533044 0.70 HPGD (0.38) TYRMEN1KMT2AKARS1RXRA
SCHEMBL2707182 0.69 HPGD (0.34) TYRMEN1KMT2AKARS1RXRA
SCHEMBL15457669 0.66 MEN1 (0.40) TYRMEN1KMT2AKARS1RXRA
SCHEMBL9980159 0.65 HTR2A (0.32) KARS1RXRACCNE1CDK2RXRB
SCHEMBL13084741 0.65 LMNA (0.48) TYRMEN1KMT2ARNASEH1HPGD
SCHEMBL13340958 0.64 NR1H3 (0.39) TYRRNASEH1HPGDGFERHSD17B10
SCHEMBL29690066 0.64 PDK2 (0.41) TYRMEN1KMT2AKARS1RXRA
SCHEMBL13340967 0.63 SLC9A1 (0.35) TYRRNASEH1HPGDGFERHSD17B10

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-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 TYR 553/4885PTGDR2 51/4885MEN1 4663/4885

“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.