SCHEMBL7060192

SCHEMBL7060192

O=C(NOC1CCCCO1)[C@H]1CN(S(=O)(=O)CCCSc2ncc[nH]2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.32
GRIN2A Q12879 1/20 0.32
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MMP13 P45452 1/20 0.31
MEN1 O00255 1/20 0.31
HTR2B P41595 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP7 P09237 1/20 0.30

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
SCHEMBL7055448 0.94 HTR2B (0.32) MMP13HTR2B
SCHEMBL7351592 0.94 MEN1 (0.31) KMT2AMMP13MEN1
SCHEMBL7667714 0.92 MMP13 (0.40) MMP13MMP1MMP2MMP3MMP7
SCHEMBL7657258 0.89 F2 (0.32) KMT2AALDH1A1MMP13MEN1MMP1
SCHEMBL7057176 0.89 F2 (0.32) KMT2AALDH1A1MMP13MEN1MMP1
SCHEMBL7056677 0.89 KMT2A (0.33) KMT2AALDH1A1MMP13MEN1MMP3
SCHEMBL7057619 0.87 ALDH1A1 (0.36) KMT2AALDH1A1MMP13MEN1MMP1
SCHEMBL7059005 0.85 ALDH1A1 (0.36) KMT2AALDH1A1MMP13MEN1MMP3
SCHEMBL7054421 0.85 ALDH1A1 (0.36) KMT2AALDH1A1MMP13MEN1MMP1
Hydrochloric Acid SCHEMBL7348850 0.85 MMP8 (0.39) GRIN2BGRIN2AMMP1MMP2MMP3

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 3 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

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 GRIN2B 2245/4885GRIN2A 2037/4885KMT2A 1432/4885

“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.