SCHEMBL7056516

SCHEMBL7056516

Cn1cnnc1SCCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc(-c3ccccc3)s2)[C@@H](C(=O)NOC2CCCCO2)C1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MMP13 P45452 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 1/20 0.31
APEX1 P27695 1/20 0.31
RAB9A P51151 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 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
SCHEMBL7056173 0.94 KMT2A (0.33) POLBRXFP1KMT2AMEN1ALDH1A1
SCHEMBL7060283 0.94 DRD2 (0.33) POLBRXFP1MMP13
SCHEMBL7657233 0.93 MMP13 (0.39) MMP13
SCHEMBL7657258 0.86 F2 (0.32) KMT2AMEN1ALDH1A1MMP13LMNA
SCHEMBL7057176 0.86 F2 (0.32) KMT2AMEN1ALDH1A1MMP13LMNA
SCHEMBL7056677 0.85 KMT2A (0.33) KMT2AMEN1ALDH1A1MMP13
Hydrochloric Acid SCHEMBL7658892 0.85 MMP3 (0.37) POLBKMT2AMEN1ALDH1A1MMP13
SCHEMBL7060192 0.85 GRIN2B (0.32) KMT2AMEN1ALDH1A1MMP13
SCHEMBL7059005 0.85 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1MMP13GAA
SCHEMBL7057619 0.85 ALDH1A1 (0.36) KMT2AMEN1ALDH1A1MMP13GAA

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 POLB 1572/4885RXFP1 457/4885TSHR 1688/4885

“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.