SCHEMBL7055796

SCHEMBL7055796

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

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.30
SCN9A Q15858 1/20 0.30
MEN1 O00255 1/20 0.30
MMP13 P45452 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
SCHEMBL7057219 0.92 MMP13 (0.35) KMT2AALDH1A1MEN1MMP13
SCHEMBL7060171 0.91 MCHR1 (0.36) KMT2AALDH1A1MMP13
SCHEMBL7962944 0.89 ALDH1A1 (0.32) KMT2AALDH1A1MEN1MMP13
SCHEMBL7057127 0.89 KMT2A (0.35) KMT2AALDH1A1MEN1MMP13
SCHEMBL7052572 0.89 SMN1; SMN2 (0.35) KMT2AALDH1A1SCN9AMEN1MMP13
SCHEMBL7057502 0.89 ALDH1A1 (0.38) KMT2AALDH1A1MMP13
SCHEMBL7353694 0.89 KMT2A (0.35) KMT2AALDH1A1SCN9AMEN1
SCHEMBL7352584 0.88 MMP13 (0.42) MMP13
SCHEMBL7059375 0.88 LMNA (0.40) KMT2AMMP13
SCHEMBL7053127 0.87 MMP13 (0.33) KMT2AALDH1A1MEN1MMP13

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 KMT2A 1432/4885ALDH1A1 281/4885SCN9A 3315/4885

“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.