SCHEMBL10126545

SCHEMBL10126545

Cc1ccc(C)c(NCCCCS(=O)(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 1/20 0.59
GUCY1B1 Q02153 1/20 0.59
GAA P10253 1/20 0.42
HTR1A P08908 2/20 0.42
ADRA1D P25100 2/20 0.42
ADRA1A P35348 2/20 0.42
ADRA1B P35368 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL21369747 0.88 SMN1; SMN2 (0.46) GUCY1A1GUCY1B1HTR1AADRA1DADRA1A
SCHEMBL25396737 0.86 CYP3A4 (0.54) GUCY1A1GUCY1B1GAAHDAC1HDAC8
SCHEMBL2743946 0.83 CYP3A4 (0.54) GUCY1A1GUCY1B1GAAHDAC1HDAC8
SCHEMBL30575017 0.82 KMT2A (0.42) GUCY1A1GUCY1B1HTR1AADRA1DADRA1A
SCHEMBL9762899 0.82 GAA (0.48) GUCY1A1GUCY1B1GAAHTTLMNA
SCHEMBL1424290 0.80 GAA (0.47) GUCY1A1GUCY1B1GAAHDAC1HDAC8
SCHEMBL30575034 0.79 KMT2A (0.42) GUCY1A1GUCY1B1GAAHTR1AADRA1D
SCHEMBL18780208 0.78 GUCY1A1 (0.55) GUCY1A1GUCY1B1GAAHTR1AADRA1D
SCHEMBL10126544 0.78 GUCY1A1 (0.59) GUCY1A1GUCY1B1GAAHDAC1HDAC8
SCHEMBL5313590 0.78 KIF11 (0.38) GUCY1A1GUCY1B1HTR1AADRA1DADRA1A

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-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 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-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF CDH1, EPCAM, CD4 GUCY1A1 4274/4885GUCY1B1 4567/4885GAA 3221/4885

“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.