SCHEMBL7060190

SCHEMBL7060190

O=C(NOC1CCCCO1)[C@H]1CN(S(=O)(=O)CC(S)Cc2ncc[nH]2)CCN1S(=O)(=O)c1ccc(-c2ccccc2)s1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
HTR2B P41595 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MEN1 O00255 1/20 0.31
MMP13 P45452 2/20 0.30
MMP1 P03956 2/20 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
SCHEMBL7055447 0.94 HTR2B (0.32) HTR2B
SCHEMBL7060272 0.94 MEN1 (0.31) KMT2AMEN1
SCHEMBL7344974 0.92 MMP13 (0.39) MMP13MMP1MMP2MMP3MMP7
SCHEMBL7057175 0.89 REN (0.33) KMT2AALDH1A1MEN1MMP13MMP1
SCHEMBL7657254 0.89 REN (0.33) KMT2AALDH1A1MEN1MMP13MMP1
SCHEMBL7059908 0.85 SMN1; SMN2 (0.33) KMT2AHTR2BALDH1A1
SCHEMBL7057803 0.85 SMN1; SMN2 (0.33) KMT2AHTR2BMEN1
Hydrochloric Acid SCHEMBL7348845 0.85 MMP8 (0.38) HTR2BMMP1MMP2MMP3MMP7
SCHEMBL7060192 0.84 GRIN2B (0.32) KMT2AHTR2BALDH1A1MEN1MMP13
SCHEMBL7056675 0.83 KMT2A (0.33) KMT2AALDH1A1MEN1MMP13MMP1

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 1432/4885HTR2B 583/4885ALDH1A1 281/4885

“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.