SCHEMBL3590930

SCHEMBL3590930

CC(C)(C)OC(=O)c1ccc(C(F)(F)F)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.49
RXRA P19793 8/20 0.46
NR1H2 P55055 8/20 0.46
NR1H3 Q13133 6/20 0.46
CES2 O00748 2/20 0.45
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 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
SCHEMBL422201 0.83 CFTR (0.69) CFTRCES2KDM4EALDH1A1HPGD
SCHEMBL29756075 0.83 KDM4E (0.54) CFTRRXRANR1H2NR1H3CES2
SCHEMBL15920582 0.83 KDM4E (0.54) CFTRRXRANR1H2NR1H3CES2
SCHEMBL4417351 0.83 KDM4E (0.54) CFTRRXRANR1H2NR1H3CES2
SCHEMBL2560668 0.81 CFTR (0.47) CFTRRXRANR1H2NR1H3CES2
SCHEMBL23231573 0.81 CFTR (0.53) CFTRCES2KDM4EALDH1A1HPGD
SCHEMBL1679303 0.81 RXRA (0.49) CFTRRXRANR1H2NR1H3CES2
Ammonia Solution, Strong SCHEMBL28740935 0.80 CFTR (0.60) CFTRRXRANR1H2NR1H3CES2
SCHEMBL3294852 0.80 CA12 (0.65) CES2ALDH1A1USP2HTTMEN1
SCHEMBL19803977 0.79 KDM4E (0.50) CFTRCES2KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 EP disclosed
CN-101589038-A Heterocyclidene-N-(aryl)acetamide derivative MOCHIDA PHARM CO LTD (JP) 2009-11-25 CN 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CFTR 2702/4885RXRA 352/4885NR1H2 133/4885

“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.