SCHEMBL6661575

SCHEMBL6661575

CC#CCOc1ccc(OCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.55
FFAR1 O14842 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
ADAM17 P78536 7/20 0.52
MMP1 P03956 3/20 0.52
MMP9 P14780 3/20 0.52
MMP13 P45452 3/20 0.52
MMP2 P08253 1/20 0.52
MMP14 P50281 1/20 0.52
ALDH1A1 P00352 3/20 0.51
TSHR P16473 1/20 0.50
NR4A1 P22736 1/20 0.50
APEX1 P27695 1/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
PTPN7 P35236 1/20 0.49
KMT2A Q03164 1/20 0.49
PTPN12 Q05209 1/20 0.49

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
SCHEMBL6657563 0.83 L3MBTL1 (0.62) FFAR1ADAM17MMP1MMP9MMP13
SCHEMBL15274643 0.82 ADAM17 (0.58) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL1503527 0.82 PKM (0.53) ALOX15SMN1; SMN2ADAM17MMP1MMP9
SCHEMBL3940413 0.81 ADAM17 (0.63) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6661623 0.81 L3MBTL1 (0.51) FFAR1ADAM17MMP1MMP9MMP13
SCHEMBL6656965 0.80 GAA (0.59) ALOX15SMN1; SMN2ADAM17MMP1MMP9
SCHEMBL339492 0.80 ALOX15 (0.81) ALOX15FFAR1SMN1; SMN2ALDH1A1TSHR
SCHEMBL23425517 0.80 ADAM17 (0.50) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL8012022 0.79 ALOX15 (0.61) ALOX15FFAR1SMN1; SMN2ALDH1A1TSHR
SCHEMBL6661137 0.79 ALDH1A1 (0.58) FFAR1ADAM17MMP1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6825354-B2 OSTEOPOROSIS; RHEUMATIC DISEASES WYETH HOLDINGS CORPORATION 2004-11-30 US disclosed
EP-1147080-B1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS WYETH CORP (US) 2004-07-21 EP disclosed
US-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors AMERICAN CYANAMID COMPANY (US) 2002-10-10 US disclosed
US-6340691-B1 TREATMENT OF ARTHRITIS, TUMOR METASTASIS, TISSUE ULCERATION, ABNORMAL WOUND HEALING, PERIODONTAL DISEASE, BONE DISEASE, DIABETES (INSULIN RESISTANCE) AND HIV INFECTION AMERICAN CYANAMID COMPANY 2002-01-22 US disclosed
EP-1147080-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
WO-2000044713-A1 ALKYNYL CONTAINING HYDROXAMIC ACID COMPOUNDS AS TACE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 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-20020147342-A1 Alkynyl containing hydroxamic acid compounds as matrix metalloproteinase and tace inhibitors MMP12, MMP17, MMP14 ALOX15 134/4885FFAR1 977/4885SMN1; SMN2 1712/4885

“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.