SCHEMBL5360753

SCHEMBL5360753

CO[C@@H](Cc1ccc(OCC(=O)NCCc2ccc(Br)cc2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.59
ALDH1A1 P00352 4/20 0.51
POLB P06746 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SGMS1 Q86VZ5 1/20 0.50
PPARG P37231 4/20 0.49
PPARA Q07869 4/20 0.49
PPARD Q03181 3/20 0.49
HTT P42858 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ABCB1 P08183 1/20 0.47
HPGD P15428 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
FPR2 P25090 1/20 0.46

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
SCHEMBL3964790 1.00 PTPN1 (0.59) PTPN1ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL5027065 0.91 PTPN1 (0.72) PTPN1ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL6148812 0.91 PTPN1 (0.68) PTPN1ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL5027084 0.90 PTPN1 (0.60) PTPN1ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL5024521 0.90 PTPN1 (0.60) PTPN1ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL5024583 0.90 PTPN1 (0.60) PTPN1ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL3967486 0.88 PTPN1 (0.67) PTPN1ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL3967478 0.88 PTPN1 (0.67) PTPN1ALDH1A1POLBSMN1; SMN2MAPT
SCHEMBL3960340 0.83 SMN1; SMN2 (0.60) PTPN1ALDH1A1SMN1; SMN2KDM4EPPARG
SCHEMBL3960334 0.83 SMN1; SMN2 (0.60) PTPN1ALDH1A1SMN1; SMN2KDM4EPPARG

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-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-7220880-B2 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2007-05-22 US disclosed
US-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators ELI LILLY AND COMPANY (US) 2006-05-25 US 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-20060111406-A1 Amide linker peroxisome proliferator activated receptor modulators PPARG, PPARA, PPARD PTPN1 3067/4885ALDH1A1 840/4885POLB 741/4885

“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.