SCHEMBL7072045

SCHEMBL7072045

CCOC(=O)c1ccccc1OCCCC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TBXAS1 P24557 1/20 0.50
L3MBTL1 Q9Y468 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.43
MEN1 O00255 1/20 0.43
NR1I2 O75469 1/20 0.43
CHRM2 P08172 1/20 0.43
ADRA2A P08913 1/20 0.43
OPRK1 P41145 1/20 0.43
HTR2B P41595 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL7709004 0.88 TSHR (0.57) TSHRTBXAS1L3MBTL1TDP1ADRB2
SCHEMBL25363213 0.87 HSP90AA1 (0.53) TSHRALDH1A1MAPTLMNAMEN1
SCHEMBL7075294 0.82 TSHR (0.57) TSHRTBXAS1L3MBTL1TDP1ALDH1A1
SCHEMBL13527098 0.81 TSHR (0.56) TSHRTBXAS1L3MBTL1TDP1ADRB2
SCHEMBL5353531 0.81 TSHR (0.65) TSHRTBXAS1L3MBTL1TDP1ADRB2
SCHEMBL4877407 0.80 MAPT (0.57) TSHRTBXAS1L3MBTL1TDP1ALDH1A1
SCHEMBL375896 0.80 TBXAS1 (0.48) TSHRTBXAS1ADRB2ADRB1ADRB3
SCHEMBL10459135 0.79 TSHR (0.61) TSHRTBXAS1L3MBTL1TDP1ADRB2
SCHEMBL9969538 0.79 TSHR (0.65) TSHRTBXAS1L3MBTL1TDP1ADRB2
SCHEMBL11588678 0.78 TSHR (0.59) TSHRTBXAS1L3MBTL1TDP1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
CN-1251579-A Compound and compositions for treating diseases associated with serine protease, particularly tryptase, activity AXYS PHARM CORP (US) 2000-04-26 CN disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO 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 (2 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 TSHR 4233/4885TBXAS1 817/4885L3MBTL1 4824/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 TSHR 4214/4885TBXAS1 699/4885L3MBTL1 4750/4885

“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.