SCHEMBL5064455

SCHEMBL5064455

O=C(O)C1CN(Cc2ccc(Br)cc2)CCN1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.56
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 2/20 0.46
FAAH O00519 1/20 0.46
MAPK1 P28482 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
GPR183 P32249 1/20 0.45
POLB P06746 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
TNIK Q9UKE5 1/20 0.44
KDM4E B2RXH2 2/20 0.43
BCHE P06276 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
SCHEMBL4188203 0.83 MGLL (0.50) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL4287508 0.79 CA1 (0.56) AGTR2MEN1KMT2AALDH1A1LMNA
SCHEMBL29175644 0.75 S1PR5 (0.64) MEN1KMT2AALDH1A1SIGMAR1KDM4E
SCHEMBL29175611 0.75 S1PR5 (0.64) MEN1KMT2AALDH1A1SIGMAR1KDM4E
SCHEMBL29175613 0.75 S1PR5 (0.64) MEN1KMT2AALDH1A1SIGMAR1KDM4E
SCHEMBL5058789 0.74 HPGD (0.53) KMT2ALMNAHPGDGPR183POLB
SCHEMBL3617972 0.74 ALDH1A1 (0.68) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL15148145 0.72 AGTR2 (1.00) AGTR2
SCHEMBL15152408 0.72 AGTR2 (1.00) AGTR2
SCHEMBL14917669 0.72 AGTR2 (0.62) AGTR2MEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY LLC 2008-06-19 US disclosed
US-7329680-B2 Heterocycle substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-02-12 US disclosed
EP-1844043-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES The Institutes for Pharmaceutical Discovery, LLC (US) 2007-10-17 EP disclosed
US-20060122222-A1 Heterocycle substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
WO-2006055708-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS FOR THE TREATMENT OF DIABETES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2006-05-26 WO disclosed
EP-1628970-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B The Institutes of Pharmaceutical Discovery, LLC (US) 2006-03-01 EP disclosed
US-20050004114-A1 Heterocycle substituted carboxylic acids INSTITUTE FOR DIABETES DISCOVERY, L.L.C. 2005-01-06 US disclosed
WO-2004099192-A2 HETEROCYCLE SUBSTITUTED CARBOXYLIC ACIDS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE-1B THE INSTITUTES OF PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 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 (3 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-20050004114-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ AGTR2 1804/4885MEN1 2174/4885KMT2A 2597/4885
US-20080146574-A1 Heterocycle Substituted Carboxylic Acids PTPRC, PTPRS, PTPRJ AGTR2 1804/4885MEN1 2174/4885KMT2A 2597/4885
US-20060122222-A1 Heterocycle substituted carboxylic acids PTPRC, PTPRS, PTPRJ AGTR2 1804/4885MEN1 2174/4885KMT2A 2597/4885

“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.