SCHEMBL4208672

SCHEMBL4208672

CCOC(=O)c1ccc(NC(=O)COCCCl)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.68
TSHR P16473 2/20 0.62
HPGD P15428 1/20 0.59
GAA P10253 3/20 0.58
MAPT P10636 6/20 0.57
LMNA P02545 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.56
ALDH1A1 P00352 3/20 0.56
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPK1 P28482 1/20 0.55
NPC1 O15118 2/20 0.53
CASP3 P42574 1/20 0.53
TRPV1 Q8NER1 1/20 0.53

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
SCHEMBL2946374 0.87 MEN1 (0.64) RAB9AHPGDMAPTLMNAALDH1A1
SCHEMBL28667541 0.87 RAB9A (0.78) RAB9ATSHRHPGDGAAMAPT
SCHEMBL491660 0.83 TSHR (0.72) RAB9ATSHRGAAMAPTSMN1; SMN2
SCHEMBL85867 0.82 KLK7 (0.55) RAB9ATSHRHPGDMAPTLMNA
SCHEMBL1411400 0.80 RAB9A (0.76) RAB9ATSHRHPGDGAAMAPT
SCHEMBL9671985 0.79 TSHR (0.77) RAB9ATSHRGAAMAPTSMN1; SMN2
SCHEMBL2840873 0.78 TSHR (0.74) RAB9ATSHRGAAMAPTSMN1; SMN2
SCHEMBL2840870 0.78 TSHR (0.74) RAB9ATSHRGAAMAPTSMN1; SMN2
SCHEMBL2941168 0.78 ALDH1A1 (0.57) RAB9AHPGDMAPTLMNATDP1
SCHEMBL6690396 0.77 TSHR (0.72) RAB9ATSHRGAAMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090023918-A1 PROCESS FOR PREPARING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE SEKI MASAHIKO 2009-01-22 US disclosed
US-7439368-B2 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-10-21 US disclosed
US-20060173188-A1 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2006-08-03 US disclosed
EP-1640373-A1 PROCESS FOR PRODUCING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE TANABE SEIYAKU CO., LTD. (JP) 2006-03-29 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 (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-20060173188-A1 Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative F12, F3, F11 RAB9A 2600/4885TSHR 1645/4885HPGD 669/4885
US-20090023918-A1 PROCESS FOR PREPARING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE F12, F3, F11 RAB9A 2586/4885TSHR 1620/4885HPGD 827/4885

“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.