SCHEMBL3390663

SCHEMBL3390663

Cc1ccc(S(=O)(=O)N2C[C@@H]3C[C@@H]3C[C@H]2CO)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
ALDH1A1 P00352 5/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PKM P14618 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.40
HPGD P15428 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
SCHEMBL3386500 0.86 POLB (0.50) POLBALDH1A1KMT2ALMNAMCOLN3
SCHEMBL8474798 0.85 POLB (0.50) POLBALDH1A1KMT2ALMNAMCOLN3
SCHEMBL9211270 0.84 MCOLN3 (0.50) POLBALDH1A1KMT2ALMNAMCOLN3
SCHEMBL9684628 0.84 MCOLN3 (0.50) POLBALDH1A1KMT2ALMNAMCOLN3
SCHEMBL2389473 0.84 MCOLN3 (0.50) POLBALDH1A1KMT2ALMNAMCOLN3
SCHEMBL9685672 0.84 MCOLN3 (0.50) POLBALDH1A1KMT2ALMNAMCOLN3
SCHEMBL2389980 0.84 MCOLN3 (0.50) POLBALDH1A1KMT2ALMNAMCOLN3
SCHEMBL9380136 0.84 MCOLN3 (0.50) POLBALDH1A1KMT2ALMNAMCOLN3
SCHEMBL9865528 0.84 MCOLN3 (0.50) POLBALDH1A1KMT2ALMNAMCOLN3
SCHEMBL13309094 0.84 POLB (0.48) POLBALDH1A1KMT2ALMNAMCOLN3

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-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
US-20100144760-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-10 US disclosed
WO-2010063663-A1 N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF GLAXO GROUP LIMITED (GB) 2010-06-10 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-20100144760-A1 NOVEL COMPOUNDS HTR3B, HTR1B, HTR2B POLB 2243/4885ALDH1A1 882/4885KMT2A 1395/4885

“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.