SCHEMBL7053604

SCHEMBL7053604

O=C(NCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccc(F)cc3)s2)[C@@H](C(=O)NO)C1)c1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
MMP1 P03956 2/20 0.41
MMP3 P08254 2/20 0.41
MMP7 P09237 2/20 0.41
MMP9 P14780 2/20 0.41
MMP13 P45452 2/20 0.41
EPHX2 P34913 2/20 0.41
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PTGS2 P35354 1/20 0.36

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
SCHEMBL7058986 0.94 MMP3 (0.41) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7053216 0.91 RAB9A (0.42) RAB9AMMP3
SCHEMBL7054269 0.90 EPHX2 (0.39) RAB9AMMP1MMP3MMP7MMP9
SCHEMBL7052103 0.85 MMP1 (0.41) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7060161 0.84 MMP8 (0.41) MMP3
SCHEMBL7053086 0.83 ALDH1A1 (0.47) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7051935 0.82 MMP1 (0.41) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7057789 0.82 MMP1 (0.37) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7346070 0.82 MMP8 (0.46) MMP1MMP3MMP7MMP9MMP13
SCHEMBL7355593 0.81 MMP13 (0.46) MMP1MMP3MMP7MMP9MMP13

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 RAB9A 3610/4885MMP1 2/4885MMP3 7/4885

“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.