SCHEMBL1859570

SCHEMBL1859570

COC(=O)C(CC#Cc1ccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2ccccc2)cc1)CCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 9/20 0.38
MMP2 P08253 8/20 0.38
MMP3 P08254 7/20 0.38
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
MMP9 P14780 2/20 0.35
MMP1 P03956 2/20 0.35
MMP8 P22894 1/20 0.35
MCHR1 Q99705 1/20 0.35
STAT5B P51692 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
BMP1 P13497 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL1861012 0.95 TP53 (0.37) MMP13MMP2MMP3CTSSCTSK
SCHEMBL1861139 0.91 ALDH1A1 (0.36) MMP13MMP2MMP3CTSSCTSK
SCHEMBL1855155 0.86 STAT5B (0.37) MMP13MMP2MMP3CTSSCTSK
SCHEMBL1855701 0.85 MMP2 (0.41) MMP2MMP3MMP9MMP1MMP8
SCHEMBL1855947 0.84 MMP13 (0.41) MMP13MMP2MMP3MMP9MMP1
SCHEMBL1860841 0.83 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL1855996 0.83 STAT5B (0.36) MMP13MMP2MMP3MMP9MMP1
SCHEMBL1856124 0.81 TP53 (0.41) MMP2MMP3MMP9MMP1MMP8
SCHEMBL3465873 0.80 MMP13 (0.42) MMP13MMP2MMP3CTSSCTSK
SCHEMBL1857571 0.80 ALDH1A1 (0.39) MMP13MMP2MMP3CTSSCTSK

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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS MMP13 3116/4885MMP2 2326/4885MMP3 3246/4885

“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.