SCHEMBL1857475

SCHEMBL1857475

CN(C(C)(C)C)S(=O)(=O)c1ccc(CC(CCc2ccccc2)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.46
CPA3 P15088 3/20 0.45
CYP1A2 P05177 1/20 0.44
ADAMTS5 Q9UNA0 2/20 0.44
CPA1 P15085 2/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
LAP3 P28838 3/20 0.42
ERAP2 Q6P179 2/20 0.42
ERAP1 Q9NZ08 2/20 0.42
ANPEP P15144 1/20 0.42

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
SCHEMBL1869515 0.91 MMP2 (0.50) MMP1MMP2MMP3MMP9MMP8
SCHEMBL1857442 0.78 CPA3 (0.49) FOLH1CPA3CYP1A2MMP2MMP9
SCHEMBL1859177 0.77 CYP1A2 (0.73) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL1855947 0.75 MMP13 (0.41) MMP1MMP2MMP3MMP9MMP8
SCHEMBL6176616 0.71 MMP3 (0.60) CPA3CYP1A2MMP3ERAP2ANPEP
SCHEMBL10521966 0.71 FOLH1 (0.72) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL10769990 0.71 FOLH1 (0.72) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL13328880 0.71 APOBEC3G (0.50)
SCHEMBL5966641 0.70 FOLH1 (0.70) FOLH1CPA3CYP1A2CPA1CPB1
SCHEMBL27423810 0.70 FOLH1 (0.70) FOLH1CPA3CYP1A2CPA1CPB1

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 FOLH1 1635/4885CPA3 3987/4885CYP1A2 158/4885

“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.