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SCHEMBL7057786

SCHEMBL7057786

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

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MAPT P10636 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ MMP13 P45452 8/20 0.34
▸ MMP1 P03956 6/20 0.34
▸ MMP8 P22894 2/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP3 P08254 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ MMP14 P50281 1/20 0.34
▸ HCRTR1 O43613 1/20 0.34
▸ HCRTR2 O43614 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KCNQ1 P51787 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ MMP12 P39900 1/20 0.33

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
SCHEMBL7056073 0.92 SMN1; SMN2 (0.36) SMN1; SMN2MAPTTDP1MMP13MMP1
SCHEMBL7059076 0.91 SMN1; SMN2 (0.36) SMN1; SMN2MAPTTDP1MMP13MMP1
SCHEMBL7060656 0.90 MMP13 (0.39) SMN1; SMN2MMP13MMP1MMP3MMP9
SCHEMBL7052572 0.90 SMN1; SMN2 (0.35) MCHR1SMN1; SMN2MAPTTDP1MMP13
SCHEMBL7053159 0.89 MMP13 (0.36) SMN1; SMN2MAPTTDP1MMP13MMP1
SCHEMBL7056174 0.89 SMN1; SMN2 (0.38) SMN1; SMN2MAPTTDP1MMP13MMP1
SCHEMBL7061603 0.89 MMP13 (0.38) SMN1; SMN2MAPTTDP1MMP13MMP1
SCHEMBL7057678 0.88 PAX8 (0.39) SMN1; SMN2TDP1HCRTR1HCRTR2POLB
SCHEMBL7055747 0.88 MMP13 (0.37) SMN1; SMN2MAPTTDP1MMP13MMP1
SCHEMBL7058252 0.87 SMN1; SMN2 (0.37) SMN1; SMN2MAPTTDP1MMP13MMP1

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 MCHR1 2840/4885SMN1; SMN2 2584/4885MAPT 4353/4885

“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.