SCHEMBL7326202

SCHEMBL7326202

CC#CCOc1ccc(SC(C(=O)OCC)c2ccc(Cl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 11/20 0.59
MMP13 P45452 4/20 0.47
MMP9 P14780 3/20 0.47
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
ABCB11 O95342 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MMP1 P03956 1/20 0.37
FFAR1 O14842 1/20 0.37

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
SCHEMBL7324053 0.89 ADAM17 (0.72) ADAM17MMP13MMP9ALDH1A1LMNA
SCHEMBL6660774 0.87 ADAM17 (0.64) ADAM17MMP13MMP9ALDH1A1MEN1
SCHEMBL7413917 0.87 ADAM17 (0.56) ADAM17MMP13MMP9ALDH1A1MEN1
SCHEMBL6657977 0.84 ADAM17 (0.82) ADAM17MMP13MMP9ALDH1A1MEN1
SCHEMBL7324006 0.84 ADAM17 (0.57) ADAM17MMP13MMP9KDM4EMMP1
SCHEMBL6657088 0.81 ADAM17 (0.65) ADAM17MMP13MMP9ALDH1A1LMNA
SCHEMBL6655813 0.80 ADAM17 (0.59) ADAM17MMP13MMP9ALDH1A1LMNA
SCHEMBL4195934 0.79 ADAM17 (0.83) ADAM17MMP13MMP9MMP1
SCHEMBL29417389 0.78 KDM4E (0.54) ALDH1A1RAB9ALMNAMAPTTDP1
SCHEMBL7324015 0.78 ADAM17 (0.70) ADAM17MMP13MMP9ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 ADAM17 7/4885MMP13 12/4885MMP9 14/4885

“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.