SCHEMBL5555641

SCHEMBL5555641

CC(C)c1ccc(OCCOCc2ccccc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.49
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
ALOX5 P09917 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
LTA4H P09960 1/20 0.44

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
SCHEMBL13778589 0.92 L3MBTL1 (0.49) RXRARXRBMRGPRX4RAB9ASMN1; SMN2
SCHEMBL9842913 0.91 RXRA (0.49) RXRARXRBMRGPRX4RAB9ACHRNB2
SCHEMBL10758358 0.88 MEN1 (0.49) RAB9ASMN1; SMN2MAPTMEN1KMT2A
SCHEMBL683554 0.84 RXRA (0.66) RXRARXRBMRGPRX4RAB9ASMN1; SMN2
SCHEMBL16594362 0.84 TSHR (0.56) RAB9ASMN1; SMN2GAAMAPTMAOA
SCHEMBL3764814 0.84 KCNA3 (0.54) RXRARXRBRAB9AMAPTMEN1
SCHEMBL5677947 0.83 LMNA (0.62) RAB9ASMN1; SMN2GAAMAPTMAOA
SCHEMBL29041352 0.82 TSHR (0.65) RXRARXRBMRGPRX4RAB9AMEN1
SCHEMBL903883 0.82 TSHR (0.58) RAB9ASMN1; SMN2GAAMAPTMAOA
SCHEMBL4756260 0.81 MAOB (0.70) RAB9ASMN1; SMN2GAAMAPTMAOA

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
US-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2009-07-02 US disclosed
US-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN AEGERA THERAPEUTICS INC. (CA) 2009-07-02 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-7253178-B2 Carboxylic acids EISAI CO., LTD. (JP) 2007-08-07 US disclosed
US-20040116708-A1 Insulin sensitizers; antidiabetic agents, antiinflammatory agents; inflammatory bowel disorders EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-06-17 US disclosed
EP-1375484-A1 CARBOXYLIC ACIDS Eisai Co., Ltd. (JP) 2004-01-02 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-20090170845-A1 USE OF IMIDAZO[2,1-b]-1,3,4-THIADIAZOLE-2-SULFONAMIDE COMPOUNDS TO TREAT NEUROPATHIC PAIN SCN1B, SCN3A, SCN1A RXRA 1433/4885RXRB 1576/4885MRGPRX4 191/4885

“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.