SCHEMBL1859707

SCHEMBL1859707

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
TDP1 Q9NUW8 1/20 0.45
MMP2 P08253 3/20 0.43
MMP9 P14780 2/20 0.43
MMP8 P22894 2/20 0.43
FOLH1 Q04609 1/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
MMP1 P03956 2/20 0.41
MMP3 P08254 2/20 0.41
AKR1C3 P42330 2/20 0.40

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
SCHEMBL1856429 0.90 POLB (0.51) POLBTDP1MMP2MMP9MMP8
SCHEMBL1857400 0.89 POLB (0.49) POLBTDP1MMP2MMP9MMP8
SCHEMBL1860335 0.84 NR1H2 (0.42) POLBMMP9ALDH1A1MMP1MMP3
SCHEMBL1859940 0.83 GRIK1 (0.51) POLBMMP2FOLH1CYP2C9CYP2C19
SCHEMBL1857288 0.81 HTR6 (0.51) ALDH1A1
SCHEMBL1858600 0.80 GRIK1 (0.54) POLBMMP2FOLH1CYP2C9CYP2C19
SCHEMBL1865607 0.80 MAOA (0.49) MMP2FOLH1MMP3
SCHEMBL1861214 0.79 ALDH1A1 (0.39) MMP2MMP9MMP8FOLH1ALDH1A1
SCHEMBL1865669 0.79 FAAH (0.48) MMP2FOLH1PDE4APDE4BPDE4C
SCHEMBL12630230 0.79 ALDH1A1 (0.51) POLBTDP1ADRB2ADRB1ADRB3

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
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
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 2860/4885TDP1 3423/4885MMP2 2326/4885

“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.