SCHEMBL2801449

SCHEMBL2801449

C#CCOc1ccc(C(C)=O)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 13/20 0.48
AKR1C2 P52895 13/20 0.48
CREBBP Q92793 3/20 0.46
AKR1B10 O60218 1/20 0.44
AKR1B1 P15121 1/20 0.44
AKR1C4 P17516 1/20 0.44
AKR1C1 Q04828 1/20 0.44
MAOB P27338 2/20 0.43
HTR2A P28223 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
SCHEMBL2801933 0.86 MAOB (0.44) AKR1C3AKR1C2CREBBPMAOBHTR2A
SCHEMBL27051723 0.82 IDO1 (0.47) HTR2A
SCHEMBL641868 0.81 CREBBP (0.64) AKR1C3AKR1C2CREBBP
SCHEMBL12799701 0.81 MAOB (0.63) MAOB
SCHEMBL12799708 0.81 MAOB (0.44) CREBBPMAOB
SCHEMBL2721752 0.80 HPGD (0.55) HTR2A
SCHEMBL7566116 0.80 PTGDR2 (0.63) AKR1C3AKR1C2CREBBPAKR1B10AKR1B1
SCHEMBL13528549 0.80 AKR1C3 (0.51) AKR1C3AKR1C2CREBBPAKR1B10AKR1B1
SCHEMBL8160607 0.79 TSHR (0.44) MAOBHTR2A
SCHEMBL6196393 0.79 PTPN11 (0.57) AKR1C3AKR1C2CREBBP

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-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 US disclosed
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 US disclosed
US-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides NOVO NORDISK HEALTH CARE AG (CH) 2010-04-29 US disclosed
EP-2121725-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES Novo Nordisk Health Care AG (CH) 2009-11-25 EP disclosed
WO-2008098958-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES NOVO NORDISK HEALTH CARE AG (DK) 2008-08-21 WO disclosed
WO-2008098958-A1 C-TERMINAL ATTACHMENT OF TWO CHEMICAL GROUPS TO PEPTIDES NOVO NORDISK HEALTH CARE AG (DK) 2008-08-21 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 (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-20100105617-A1 C-Terminal Attachment of Two Chemical Groups to Peptides PTMS, DNPEP, VIP AKR1C3 3491/4885AKR1C2 4087/4885CREBBP 3004/4885

“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.