SCHEMBL4459328

SCHEMBL4459328

NCC1(C(=O)O)C=CC(c2ccccc2)=CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.32
PSAT1 Q9Y617 2/20 0.32
SLC6A2 P23975 2/20 0.31
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL27630130 0.85 PTPN1 (0.33) FFAR1
SCHEMBL2157193 0.85 SMN1; SMN2 (0.33) FFAR1
SCHEMBL7510602 0.82 SMN1; SMN2 (0.33)
SCHEMBL21043747 0.81 PSEN1 (0.33) SRRPSAT1SLC6A2SLC6A4SLC6A3
SCHEMBL28625433 0.80 HPGD (0.33)
SCHEMBL27902585 0.79 MMP2 (0.35)
SCHEMBL4184929 0.78 MMP2 (0.37)
SCHEMBL5718581 0.78 MAPT (0.30)
SCHEMBL4183422 0.78 MMP2 (0.37)
SCHEMBL4181879 0.78 MMP2 (0.37)

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
EP-1778299-A4 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INT BV (NL) 2009-08-26 EP claimed
EP-1778299-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2007-05-02 EP claimed
WO-2006096207-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2006-09-14 WO claimed
US-20050147555-A1 Methods for preparing multivalent constructs for therapeutic and diagnostic applications and methods of preparing the same BRACCO SUISSE SA (CH) 2005-07-07 US claimed
EP-1778299-A4 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INT BV (NL) 2009-08-26 EP disclosed
EP-1778299-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2007-05-02 EP disclosed
WO-2006096207-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2006-09-14 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-20050147555-A1 Methods for preparing multivalent constructs for therapeutic and diagnostic applications and methods of preparing the same LDHB, FPGS, MTHFD2 SRR 3148/4885PSAT1 273/4885SLC6A2 3626/4885

“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.