SCHEMBL1856429

SCHEMBL1856429

CNS(=O)(=O)c1cccc(CCCC(CCc2ccccc2)C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
MMP2 P08253 5/20 0.47
MMP3 P08254 4/20 0.47
MMP9 P14780 3/20 0.47
MMP8 P22894 3/20 0.47
MMP1 P03956 2/20 0.47
GRIK1 P39086 1/20 0.46
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AKR1C3 P42330 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TBXAS1 P24557 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL1859707 0.90 POLB (0.53) POLBMMP2MMP3MMP9MMP8
SCHEMBL1856417 0.89 MMP2 (0.54) MMP2MMP3MMP9MMP8MMP1
SCHEMBL8039484 0.87 HTR6 (0.58) MMP2MMP3MMP9MMP8MMP1
SCHEMBL1861591 0.87 HDAC2 (0.52) POLBMMP2MMP3MMP9MMP8
SCHEMBL8037792 0.85 HTR6 (0.51) ALDH1A1HTR6
SCHEMBL1857400 0.85 POLB (0.49) POLBMMP2MMP3MMP9MMP8
SCHEMBL4443579 0.85 POLB (0.53) POLBMMP2MMP3MMP9MMP1
SCHEMBL1856441 0.83 HTR6 (0.53) ALDH1A1HTR6
SCHEMBL12630230 0.82 ALDH1A1 (0.51) POLBALDH1A1AKR1C3TDP1HTR6
SCHEMBL1857972 0.81 NPC1 (0.49) ALDH1A1HTR6

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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US claimed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 WO claimed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
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
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 POLB 2860/4885MMP2 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.