SCHEMBL3549198

SCHEMBL3549198

CCC(=O)OC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
CTNNB1 P35222 3/20 0.44
WNT3A P56704 3/20 0.44
KCNK3 O14649 1/20 0.44
KCNK9 Q9NPC2 1/20 0.44
F2R P25116 1/20 0.43
TSHR P16473 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 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
SCHEMBL1405144 0.86 LMNA (0.58) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL6205138 0.85 LMNA (0.47) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL6675290 0.83 LMNA (0.51) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL7766866 0.82 TSHR (0.59) LMNATSHRL3MBTL1TDP1NPC1
SCHEMBL1994129 0.81 TSHR (0.67) LMNAGAAKCNK3KCNK9TSHR
SCHEMBL28799431 0.80 LMNA (0.49) LMNAGAACTNNB1WNT3AL3MBTL1
SCHEMBL29410857 0.79 CTNNB1 (0.57) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL1950901 0.79 CTNNB1 (0.57) LMNAGAACTNNB1WNT3AKCNK3
SCHEMBL45490 0.79 LMNA (0.59) LMNAGAATSHR
SCHEMBL31575818 0.79 ALDH1A1 (0.69) LMNAGAATSHRL3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110028407-A A kind of method preparing -1 ', 3 '-dione compounds of spiral shell [cyclopropane -1,2 '-indenes] 苏州大学 2019-07-19 CN disclosed
CN-106674174-B A kind of 4,6- diaryl pyran derivate and its preparing the application in liver-cancer medicine 辽宁大学 2019-02-19 CN disclosed
CN-106674174-A 4, 6-diaryl pyran derivative and application thereof in preparation of liver cancer drugs 辽宁大学 2017-05-17 CN disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US 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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 LMNA 3047/4885GAA 1712/4885CTNNB1 664/4885

“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.