Sugi Predict

Sugi Predict / Compounds / SCHEMBL1233130

SCHEMBL1233130

SCHEMBL1233130

Nc1nc2ccccc2c2c1nc1n2CCCN(S(=O)(=O)C(F)(F)F)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.40
▸ TLR7 Q9NYK1 11/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ USP2 O75604 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ BCHE P06276 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ HKDC1 Q2TB90 1/20 0.34
▸ GOPC Q9HD26 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TLR8 Q9NR97 4/20 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
SCHEMBL1233129 0.94 GBA1 (0.43) GBA1TLR7KDM4EALDH1A1ALOX15
SCHEMBL1231786 0.86 TLR7 (0.40) GBA1TLR7KDM4EALDH1A1ALOX15
Trifluoroacetic Acid SCHEMBL1233243 0.85 TLR7 (0.38) TLR7KDM4EALDH1A1HSD17B10GLA
SCHEMBL12888471 0.79 TLR7 (0.41) GBA1TLR7KDM4EALDH1A1HSD17B10
Trifluoroacetic Acid SCHEMBL1232744 0.79 LIPG (0.39) GBA1TLR7KDM4EALDH1A1HSD17B10
SCHEMBL12097679 0.78 MEN1 (0.48) TLR7GAATLR8MEN1KMT2A
SCHEMBL1233115 0.77 ALDH1A1 (0.39) TLR7KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL8114555 0.76 HSD17B10 (0.55) TLR7KDM4EALDH1A1ALOX15HSD17B10
SCHEMBL544023 0.75 MEN1 (0.55) TLR7KDM4EALDH1A1ALOX15HSD17B10
Water SCHEMBL8122300 0.75 HSD17B10 (0.54) TLR7KDM4EALDH1A1ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 — — US disclosed
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 — — US disclosed
US-7888349-B2 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-02-15 — — US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 — — US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 — — US disclosed
US-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds 3M INNOVATIVE PROPERTIES COMPANY 2007-07-19 — — 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-20070167476-A1 Piperazine, [1,4]Diazepane, [1,4]Diazocane, and [1,5]Diazocane fused imidazo ring compounds IL4, IL2, IL5 GBA1 1867/4885TLR7 821/4885KDM4E 1854/4885

“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.