SCHEMBL6882247

SCHEMBL6882247

CCOC(=O)C1CCC(CNC(=O)c2cc(-c3ccc(-c4ccncc4)cc3)cs2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 7/20 0.56
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GNRHR P30968 1/20 0.43
MMP13 P45452 2/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
ROCK2 O75116 3/20 0.41
MAPK14 Q16539 4/20 0.39
GABRA5 P31644 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
USP30 Q70CQ3 1/20 0.38

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
SCHEMBL6882179 0.91 MMP12 (0.57) MMP12MEN1KMT2AGNRHRMMP13
SCHEMBL6878595 0.89 MMP12 (0.55) MMP12MEN1KMT2AGNRHRMAPK14
SCHEMBL6878598 0.89 MMP12 (0.55) MMP12MEN1KMT2AGNRHRMAPK14
SCHEMBL6370857 0.86 MMP12 (0.78) MMP12MEN1KMT2AGNRHRMMP13
SCHEMBL6370860 0.86 MMP12 (0.78) MMP12MEN1KMT2AGNRHRMMP13
SCHEMBL6455095 0.85 MMP12 (0.71) MMP12MMP13MMP3MMP9MMP8
Hydrochloric Acid SCHEMBL6881474 0.84 MMP12 (0.70) MMP12MMP13MMP3MMP9MMP8
SCHEMBL8340443 0.84 MMP12 (0.55) MMP12MMP13MMP3MMP9MMP8
SCHEMBL6882846 0.82 MEN1 (0.46) MMP12MEN1KMT2AGNRHRHDAC4
SCHEMBL6457597 0.82 HDAC4 (0.56) MMP12MEN1KMT2AMMP13MMP3

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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 US claimed
US-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them WARNER-LAMBERT COMPANY LLC 2004-04-15 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-20040072871-A1 Novel thiophene derivatives, their process of preparation and the pharmaceutical compositions which comprise them MMP11, MMP13, CBR1 MMP12 7/4885MEN1 4862/4885KMT2A 4610/4885

“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.