SCHEMBL1549966

SCHEMBL1549966

CC(C)(COCc1cccc(F)c1C(F)(F)F)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.39
CMA1 P23946 3/20 0.36
PTGS2 P35354 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
SSTR4 P31391 1/20 0.34
ALDH1A1 P00352 2/20 0.33
LMNA P02545 2/20 0.33
TAAR1 Q96RJ0 2/20 0.33
GUCY1B2 O75343 2/20 0.33
GUCY1A2 P33402 2/20 0.33
GUCY1A1 Q02108 2/20 0.33
GUCY1B1 Q02153 2/20 0.33
RIPK1 Q13546 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL1549920 0.75 IDO1 (0.40) CMA1SCN5ASSTR4ALDH1A1LMNA
SCHEMBL27481676 0.73 ALDH1A1 (0.42) P2RX7CMA1ALDH1A1LMNATAAR1
SCHEMBL5221235 0.72 KDM4E (0.49) ALDH1A1LMNA
SCHEMBL1549969 0.71 ALDH1A1 (0.46) P2RX7CMA1SCN9AALDH1A1LMNA
SCHEMBL12900215 0.68 GABRA1 (0.46) P2RX7CMA1PTGS2KCNH2SCN5A
SCHEMBL1508426 0.66 FFAR1 (0.43) P2RX7PTGS2ALDH1A1
SCHEMBL3511351 0.66 KDM4E (0.46) ALDH1A1LMNAL3MBTL1
SCHEMBL20324277 0.65 LMNA (0.40) SSTR4ALDH1A1LMNA
SCHEMBL16701725 0.65 SLC6A4 (0.39) P2RX7CMA1PTGS2KCNH2LMNA
SCHEMBL488739 0.65 PDK2 (0.41) P2RX7CMA1PTGS2KCNH2LMNA

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-20110144374-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE NIPPON SODA CO., LTD. (JP) 2011-06-16 US disclosed
EP-2314570-A1 OXIME ETHER DERIVATIVE AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE Nippon Soda Co., Ltd. (JP) 2011-04-27 EP 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-20110144374-A1 OXIME ETHER DERIVATIVE AND FUNGICIDE FOR AGRICULTURE AND HORTICULTURE CBR3, CNPY2, NOX3 P2RX7 4213/4885CMA1 2556/4885PTGS2 2866/4885

“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.