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Sugi Predict / Compounds / SCHEMBL7052572

SCHEMBL7052572

SCHEMBL7052572

CN(C)S(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)s2)[C@@H](C(=O)NOC2CCCCO2)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KCNQ1 P51787 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ MMP13 P45452 3/20 0.32
▸ MMP1 P03956 2/20 0.32
▸ MMP3 P08254 2/20 0.32
▸ MMP9 P14780 2/20 0.32
▸ MMP8 P22894 2/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP14 P50281 1/20 0.32
▸ TP53 P04637 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
SCHEMBL7059375 0.93 LMNA (0.40) MCHR1HCRTR1HCRTR2KMT2AKCNQ1
SCHEMBL7057127 0.93 KMT2A (0.35) SMN1; SMN2MCHR1POLBKMT2AALDH1A1
SCHEMBL7057502 0.93 ALDH1A1 (0.38) HCRTR1HCRTR2POLBKMT2AALDH1A1
SCHEMBL7061603 0.92 MMP13 (0.38) SMN1; SMN2HCRTR1HCRTR2POLBKMT2A
SCHEMBL7055721 0.91 SMN1; SMN2 (0.34) SMN1; SMN2MCHR1HCRTR1HCRTR2POLB
SCHEMBL7060171 0.91 MCHR1 (0.36) MCHR1HCRTR1HCRTR2POLBKMT2A
SCHEMBL7053127 0.91 MMP13 (0.33) SMN1; SMN2HCRTR1HCRTR2KMT2AALDH1A1
SCHEMBL7054787 0.90 HSD17B2 (0.34) SMN1; SMN2KMT2AALDH1A1MAPTMEN1
SCHEMBL7352584 0.90 MMP13 (0.42) MMP13MMP1MMP3MMP9MMP2
SCHEMBL7057786 0.90 MCHR1 (0.36) SMN1; SMN2MCHR1HCRTR1HCRTR2POLB

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 2584/4885MCHR1 2840/4885HCRTR1 772/4885

“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.