SCHEMBL7054787

SCHEMBL7054787

COc1ccc(-c2ccc(S(=O)(=O)N3CCN(S(=O)(=O)N(C)C)C[C@@H]3C(=O)NOC3CCCCO3)s2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.34
HSD17B1 P14061 1/20 0.34
TP53 P04637 2/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
GAA P10253 1/20 0.33
MMP13 P45452 4/20 0.33
MMP1 P03956 3/20 0.32
MMP3 P08254 3/20 0.32
MMP7 P09237 3/20 0.32
MMP9 P14780 3/20 0.32
LMNA P02545 4/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL7057004 0.92 MMP13 (0.39) HSD17B2HSD17B1TP53PIK3CDPIK3CA
SCHEMBL7052572 0.90 SMN1; SMN2 (0.35) TP53MMP13MMP1MMP3MMP7
SCHEMBL7059375 0.88 LMNA (0.40) MMP13MMP1LMNAKMT2A
SCHEMBL7057127 0.87 KMT2A (0.35) TP53MMP13MMP1MMP3MMP7
SCHEMBL7057502 0.87 ALDH1A1 (0.38) GAAMMP13MMP1ALDH1A1KMT2A
SCHEMBL7052713 0.86 MMP13 (0.34) HSD17B2HSD17B1GAAMMP13MMP1
SCHEMBL7053172 0.86 MMP3 (0.44) HSD17B2MMP13MMP1MMP3MMP7
SCHEMBL7053127 0.85 MMP13 (0.33) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7060171 0.85 MCHR1 (0.36) MMP13MMP1MMP3MMP7MMP9
SCHEMBL7352584 0.85 MMP13 (0.42) MMP13MMP1MMP3MMP7MMP9

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 HSD17B2 321/4885HSD17B1 395/4885TP53 2522/4885

“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.