SCHEMBL7056965

SCHEMBL7056965

O=C(NOC1CCCCO1)[C@H]1CN(S(=O)(=O)N2CCCCC2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
POLB P06746 1/20 0.35
RECQL P46063 1/20 0.35
MMP8 P22894 2/20 0.34
MMP3 P08254 1/20 0.34
MMP1 P03956 1/20 0.34
MMP13 P45452 1/20 0.34
GHSR Q92847 3/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7053257 0.92 SMN1; SMN2 (0.37) ALDH1A1HCRTR1HCRTR2POLBRECQL
SCHEMBL7058978 0.91 ALDH1A1 (0.40) ALDH1A1HCRTR1HCRTR2MMP3MMP1
SCHEMBL7057164 0.89 ALDH1A1 (0.39) ALDH1A1HCRTR1HCRTR2MMP3MMP1
SCHEMBL7057502 0.89 ALDH1A1 (0.38) ALDH1A1HCRTR1HCRTR2POLBMMP1
SCHEMBL7059261 0.87 IKBKB (0.37) ALDH1A1HCRTR1HCRTR2MMP13
SCHEMBL7059092 0.87 MMP8 (0.48) ALDH1A1HCRTR1HCRTR2POLBMMP8
SCHEMBL7059005 0.86 ALDH1A1 (0.36) ALDH1A1HCRTR1HCRTR2MMP8MMP3
SCHEMBL7057619 0.86 ALDH1A1 (0.36) ALDH1A1HCRTR1HCRTR2MMP1MMP13
SCHEMBL7054421 0.86 ALDH1A1 (0.36) ALDH1A1HCRTR1HCRTR2MMP8MMP3
SCHEMBL7058210 0.86 MMP13 (0.39) ALDH1A1HCRTR1HCRTR2POLBMMP3

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 ALDH1A1 281/4885HCRTR1 772/4885HCRTR2 897/4885

“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.