SCHEMBL1855155

SCHEMBL1855155

COC(=O)C(CC#Cc1cccc(S(=O)(=O)N(C(=O)OC(C)(C)C)c2ccc(C)cc2)c1)CCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STAT5B P51692 1/20 0.37
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HAO1 Q9UJM8 1/20 0.34
PTGES O14684 1/20 0.34
GAA P10253 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.33
CTSS P25774 1/20 0.33
CTSK P43235 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
SCHEMBL1855996 0.97 STAT5B (0.36) STAT5BMMP2MMP3MMP13ALDH1A1
SCHEMBL1861139 0.95 ALDH1A1 (0.36) MMP2MMP3MMP13ALDH1A1TP53
SCHEMBL1860841 0.91 PDE4A (0.38) ALDH1A1TP53GAAKMT2AMAPT
SCHEMBL3467263 0.90 PTPN2 (0.39) MMP13
SCHEMBL1857571 0.87 ALDH1A1 (0.39) MMP2MMP3MMP13ALDH1A1TP53
SCHEMBL1855850 0.86 STAT5B (0.40) STAT5BMMP3ALDH1A1TP53MEN1
SCHEMBL1859570 0.86 MMP13 (0.38) STAT5BMMP2MMP3MMP13CTSS
SCHEMBL1860371 0.85 STAT5B (0.41) STAT5BMMP3ALDH1A1TP53MEN1
SCHEMBL1861214 0.82 ALDH1A1 (0.39) MMP2MMP3ALDH1A1TP53
SCHEMBL1861012 0.82 TP53 (0.37) MMP2MMP3MMP13TP53MAPT

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 STAT5B 4233/4885MMP2 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.