SCHEMBL2858271

SCHEMBL2858271

CC(=O)N[C@@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.60
POLB P06746 2/20 0.47
PPARG P37231 2/20 0.46
P2RX7 Q99572 3/20 0.46
CTRB1 P17538 1/20 0.46
ACE P12821 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
APEX1 P27695 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL2858269 1.00 TACR1 (0.60) TACR1POLBPPARGP2RX7CTRB1
SCHEMBL30229545 0.90 ALDH1A1 (0.54) TACR1P2RX7KDM4EMEN1ALDH1A1
SCHEMBL9078877 0.89 TACR1 (0.57) TACR1POLBCTRB1ACEKDM4E
SCHEMBL1823206 0.89 TACR1 (0.62) TACR1POLBPPARGACEALDH1A1
SCHEMBL1823203 0.89 TACR1 (0.62) TACR1POLBPPARGACEALDH1A1
SCHEMBL2855147 0.87 TACR1 (0.48) TACR1PPARGCTRB1KDM4ETP53
SCHEMBL2855146 0.87 TACR1 (0.48) TACR1PPARGCTRB1KDM4ETP53
SCHEMBL7449432 0.87 P2RX7 (0.55) P2RX7ACEITGB3ITGA2B
SCHEMBL2854766 0.87 ALDH1A1 (0.46) TACR1PPARGCTRB1MEN1ALDH1A1
SCHEMBL2854764 0.87 ALDH1A1 (0.46) TACR1PPARGCTRB1MEN1ALDH1A1

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
EP-1346971-B1 Production method for biarylalanine SUMITOMO CHEMICAL CO (JP) 2010-01-20 EP disclosed
US-7091373-B2 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-08-15 US disclosed
US-20040024229-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED 2004-02-05 US disclosed
EP-1346971-A1 Production method for biarylalanine SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-09-24 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 (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-20040024229-A1 Production method for biarylalanine BCAT2, BCAT1, PAH TACR1 2442/4885POLB 3282/4885PPARG 4594/4885

“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.