SCHEMBL679324

SCHEMBL679324

CC(C)(C)OC(=O)c1c(F)cc(F)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
KMT2A Q03164 1/20 0.45
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRA6 Q16445 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NR3C2 P08235 3/20 0.37
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
RIPK1 Q13546 5/20 0.36
GRM6 O15303 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36

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
SCHEMBL17422957 0.88 NR3C2 (0.39) GAAKMT2AGABRA1GABRG2GABRB3
SCHEMBL25304437 0.86 CYP2C9 (0.37) GAAKMT2AGABRA1GABRG2GABRB3
SCHEMBL14289250 0.86 CYP2C9 (0.47) GAAKMT2AGABRA1GABRG2GABRB3
SCHEMBL15359768 0.85 GRM6 (0.40) GAAKMT2AGABRA1GABRG2GABRB3
SCHEMBL643173 0.85 AAK1 (0.39) GAAKMT2AGABRA1GABRG2GABRB3
SCHEMBL20741075 0.83 LMNA (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5774469 0.83 AKR1C3 (0.42) CYP2C9CYP2C19NPSR1GRM6MTNR1A
SCHEMBL679953 0.82 CA1 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL20741090 0.80 NR3C2 (0.41) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL2838163 0.80 ELANE (0.46) GAAKMT2ACES2CES1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210052736-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES APOSENSE LTD (IL) 2021-02-25 US disclosed
EP-2593427-B1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LTD (GB) 2014-12-24 EP disclosed
EP-2593432-B1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2014-10-22 EP disclosed
WO-2012007861-A1 N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-19 WO disclosed
WO-2012007883-A1 SULFONAMIDE DERIVATIVES AS NAV1.7 INHIBITORS FOR THE TREATMENT OF PAIN PFIZER LIMITED (GB) 2012-01-19 WO disclosed
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
US-20120010207-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 US disclosed
US-20120010183-A1 Chemical Compounds PFIZER LIMITED (GB) 2012-01-12 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 (3 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-20120010207-A1 Chemical Compounds SCN1A, SCN1B, SCN7A GAA 3927/4885KMT2A 2539/4885GABRA1 665/4885
US-20120010183-A1 Chemical Compounds SCN1A, SCN1B, SCN7A GAA 3775/4885KMT2A 2806/4885GABRA1 558/4885
US-20210052736-A1 COMPOUNDS AND METHODS FOR TRANS-MEMBRANE DELIVERY OF MOLECULES LDLR, NPC1L1, ABCB4 GAA 359/4885KMT2A 2787/4885GABRA1 3326/4885

“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.