SCHEMBL7628541

SCHEMBL7628541

O=C(O)CCC(C(=O)NO)[S+]([O-])c1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 5/20 0.44
MEP1B Q16820 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CNR1 P21554 1/20 0.33
IDO1 P14902 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL6933138 0.91 HDAC1 (0.40) FOLH1HDAC1HDAC8MEN1KMT2A
SCHEMBL6932485 0.79 HDAC2 (0.34) FOLH1HDAC1HDAC8
SCHEMBL7394119 0.76 BMP1 (0.42) MEP1BHDAC1HDAC8MMP1MMP2
SCHEMBL6927221 0.74 S1PR1 (0.44) HDAC1HDAC8
SCHEMBL6930552 0.71 HRH3 (0.43) KMT2A
SCHEMBL6929381 0.69 HDAC8 (0.48) HDAC1HDAC8
SCHEMBL6929887 0.67 MMP1 (0.57) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6929463 0.66 PPARG (0.49) MMP1MMP3MMP9MMP13
Hydroxyamine SCHEMBL7643811 0.66 MEN1 (0.47) FOLH1MEP1BHDAC1MMP9MMP13
SCHEMBL6932276 0.65 MMP2 (0.45) HDAC1HDAC8MMP1MMP2MMP9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6441023-B1 FOR THERAPY OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN HOME PRODUCTS CORPORATION 2002-08-27 US disclosed
US-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-03-14 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-20020032186-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 FOLH1 1733/4885MEP1B 697/4885HDAC1 139/4885

“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.