SCHEMBL5961946

SCHEMBL5961946

CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCC[C@H]2C(=O)O)c(C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.51
POLB P06746 1/20 0.48
LMNA P02545 1/20 0.46
ALDH1A1 P00352 4/20 0.46
FABP4 P15090 2/20 0.45
FABP3 P05413 1/20 0.45
FABP5 Q01469 1/20 0.45
HTT P42858 1/20 0.45
MMP8 P22894 1/20 0.45
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
CCR4 P51679 1/20 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
SCHEMBL3825976 0.85 FABP4 (0.49) EPHX2ALDH1A1FABP4FABP3FABP5
SCHEMBL5717023 0.80 FKBP1A (0.52) EPHX2LMNAALDH1A1KDM4E
SCHEMBL13814477 0.78 ALDH1A1 (0.64) POLBALDH1A1HTTMMP8MMP12
SCHEMBL3791791 0.78 ALDH1A1 (0.64) POLBALDH1A1HTTMMP8MMP12
SCHEMBL3831673 0.76 FABP4 (0.47) EPHX2ALDH1A1FABP4FABP3FABP5
SCHEMBL3831668 0.76 FABP4 (0.47) EPHX2ALDH1A1FABP4FABP3FABP5
SCHEMBL3720984 0.75 LMNA (0.56) EPHX2POLBLMNAALDH1A1HTT
SCHEMBL8544141 0.73 PLAU (0.42) EPHX2
SCHEMBL19976337 0.73 KDM4E (0.53) POLBLMNAALDH1A1HTTMMP8
SCHEMBL4611229 0.72 MMP8 (0.56) POLBLMNAALDH1A1MMP8MMP12

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109343-B2 Metal catalysts and methods for making and using same THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2006-09-19 US disclosed
US-20050010049-A1 Metal catalysts and methods for making and using same DAVIES HUW M L (US) 2005-01-13 US disclosed
EP-1173278-B1 METAL CATALYSTS AND METHODS FOR MAKING AND USING SAME RES FOUNDATION OFSTATE UNIVERS (US) 2004-06-30 EP disclosed
EP-1173278-A1 METAL CATALYSTS AND METHODS FOR MAKING AND USING SAME THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2002-01-23 EP disclosed
WO-2000064583-A1 METAL CATALYSTS AND METHODS FOR MAKING AND USING SAME THE RESEARCH FOUNDATION OF STATE UNIVERSITY OF NEW YORK (US) 2000-11-02 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-20050010049-A1 Metal catalysts and methods for making and using same SLC6A3, COMT, DRD4 EPHX2 3764/4885POLB 2171/4885LMNA 2606/4885

“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.