SCHEMBL13604124

SCHEMBL13604124

CC1(C)OB(c2ccc(CCNS(=O)(=O)c3cccc(F)c3)cc2)OC1(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 2/20 0.47
LPL P06858 3/20 0.45
LIPG Q9Y5X9 3/20 0.45
AKR1C3 P42330 4/20 0.45
PRMT1 Q99873 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 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
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 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
SCHEMBL17101744 0.89 POLB (0.54) CA1CA2CA9ALDH1A1LPL
SCHEMBL13604127 0.87 AKR1C3 (0.50) CA1CA2CA9ALDH1A1LPL
SCHEMBL13604125 0.86 ALDH1A1 (0.58) CA1CA2CA9ALDH1A1LPL
SCHEMBL13604114 0.86 ALDH1A1 (0.56) CA1CA2CA9ALDH1A1LPL
SCHEMBL13612187 0.86 ALDH1A1 (0.42) ALDH1A1AKR1C3PRMT1TAAR1KMT2A
SCHEMBL8288343 0.83 ALDH1A1 (0.45) CA1CA2ALDH1A1AKR1C3PRMT1
SCHEMBL13604136 0.80 ALDH1A1 (0.68) CA1CA2CA9ALDH1A1LPL
SCHEMBL13604122 0.80 LPL (0.47) CA1CA2CA9ALDH1A1LPL
SCHEMBL13604129 0.79 MEN1 (0.59) CA1CA2CA9ALDH1A1LPL
SCHEMBL13604138 0.77 ALDH1A1 (0.70) CA1CA2CA9ALDH1A1AKR1C3

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-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY 2007-03-22 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-20070066573-A1 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors GRIN1, GRIN3A, GRIK5 CA1 1383/4885CA2 3445/4885CA9 4783/4885

“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.