Sugi Predict

Sugi Predict / Compounds / SCHEMBL7053151

SCHEMBL7053151

SCHEMBL7053151

O=C(NOC1CCCCO1)[C@H]1CN(S(=O)(=O)CCCC(=O)N2CCOCC2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ POLB P06746 4/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ HSD17B10 Q99714 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ USP2 O75604 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MMP13 P45452 4/20 0.32
▸ MMP1 P03956 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL7059005 0.92 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1HSD17B10MEN1USP2
SCHEMBL7054421 0.92 ALDH1A1 (0.36) SMN1; SMN2ALDH1A1HSD17B10MEN1USP2
SCHEMBL7054603 0.91 IKBKB (0.38) SMN1; SMN2ALDH1A1HSD17B10MEN1USP2
SCHEMBL7056557 0.89 ALDH1A1 (0.34) ALDH1A1MEN1KMT2AMMP13GAA
SCHEMBL7057619 0.89 ALDH1A1 (0.36) ALDH1A1MEN1KMT2AMMP13MMP1
SCHEMBL7056766 0.88 ALDH1A1 (0.34) ALDH1A1MMP13MMP1HCRTR1HCRTR2
SCHEMBL7059261 0.87 IKBKB (0.37) ALDH1A1MMP13HCRTR1HCRTR2
SCHEMBL7668609 0.86 MMP3 (0.40) SMN1; SMN2POLBPDE4BRAB9AMMP13
SCHEMBL7060241 0.84 MMP8 (0.36) ALDH1A1MEN1KMT2AMMP13MMP1
SCHEMBL7058978 0.84 ALDH1A1 (0.40) ALDH1A1KMT2AMMP13MMP1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-27 — — US disclosed
US-6489324-B2 TREATING STROKE, ARHTRITIS, CANCER, TISSUE ULCERATION, DECUBITIS ULCER, RESTENOSIS, PERIODONTAL DISEASE, EPIDERMOLYSIS BULLOSA, SCLERITIS, PSORIASIS, AIDS, SEPSIS, AND SEPTIC SHOCK. FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-12-03 — — US disclosed
US-6333324-B1 FOR THERAPY AND PROPHYLAXIS OF MATRIX METALLOPROTEINASES (MMP) OR TUMOR NECROSIS FACTOR .ALPHA. (TNF.ALPHA.), MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-25 — — US disclosed
EP-0948489-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-13 — — EP disclosed
WO-1998027069-A1 PIPERAZINE COMPOUNDS AS INHIBITORS OF MMP OR TNF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-06-25 — — 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-20030060473-A1 Piperazine compounds as inhibitors of MMP or TNF MMP2, MMP1, TNF SMN1; SMN2 2584/4885POLB 1572/4885ALDH1A1 281/4885

“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.