SCHEMBL1857442

SCHEMBL1857442

CNS(=O)(=O)c1ccc(CC(CCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.49
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 6/20 0.48
MMP2 P08253 4/20 0.48
MMP9 P14780 3/20 0.48
MAPT P10636 2/20 0.48
ADAMTS4 O75173 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
FOLH1 Q04609 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
LAP3 P28838 1/20 0.45
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45

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
SCHEMBL1856417 0.88 MMP2 (0.54) CYP1A2ALDH1A1MMP2MMP9MAPT
SCHEMBL1859177 0.81 CYP1A2 (0.73) CPA3CYP1A2FOLH1LAP3ERAP2
SCHEMBL1857475 0.78 FOLH1 (0.46) CPA3CYP1A2MMP2MMP9FOLH1
SCHEMBL1856429 0.78 POLB (0.51) CYP1A2ALDH1A1MMP2MMP9CYP2C9
SCHEMBL4443579 0.77 POLB (0.53) CYP1A2ALDH1A1MMP2MMP9CYP2C9
SCHEMBL5489381 0.75 ALDH1A1 (0.71) ALDH1A1MAPTNPSR1
SCHEMBL6176616 0.75 MMP3 (0.60) CPA3CYP1A2ALDH1A1ERAP2
SCHEMBL1860527 0.74 HDAC1 (0.54) MMP2MMP9
SCHEMBL10327379 0.74 CPA3 (0.50) CPA3CYP1A2FOLH1LAP3ERAP2
SCHEMBL6724759 0.73 CYP1A2 (0.83) CPA3CYP1A2FOLH1

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 CPA3 3987/4885CYP1A2 158/4885ALDH1A1 198/4885

“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.