SCHEMBL5793705

SCHEMBL5793705

N[C@@H](Cc1ccc(O)cc1C(F)(F)F)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
ALOX15 P16050 3/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP3A4 P08684 3/20 0.51
KMT2A Q03164 3/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
NFKB1 P19838 2/20 0.51
BLM P54132 2/20 0.51
PMP22 Q01453 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ADORA3 P0DMS8 2/20 0.51
HTR2A P28223 2/20 0.51
HTR1A P08908 1/20 0.51
TSHR P16473 1/20 0.51
HTR2C P28335 1/20 0.51
SLC6A4 P31645 1/20 0.51
HTR7 P34969 1/20 0.51
HTR2B P41595 1/20 0.51

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
SCHEMBL5793704 1.00 KDM4E (0.51) KDM4EALOX15HSD17B10CYP3A4KMT2A
Hydrochloric Acid SCHEMBL27466244 0.98 KDM4E (0.50) KDM4EALOX15HSD17B10CYP3A4KMT2A
Hydrochloric Acid SCHEMBL27466243 0.98 KDM4E (0.50) KDM4EALOX15HSD17B10CYP3A4KMT2A
SCHEMBL9513810 0.85 ALOX15 (0.51) KDM4EALOX15HSD17B10CYP3A4KMT2A
SCHEMBL7773942 0.85 IDO1 (0.50) KDM4EALOX15HSD17B10CYP3A4KMT2A
SCHEMBL27535126 0.85 ALOX15 (0.51) KDM4EALOX15HSD17B10CYP3A4KMT2A
SCHEMBL6584398 0.85 ALOX15 (0.51) KDM4EALOX15HSD17B10CYP3A4KMT2A
SCHEMBL1312888 0.85 GRB2 (0.54) KDM4EALOX15HSD17B10CYP3A4KMT2A
SCHEMBL1312890 0.85 GRB2 (0.54) KDM4EALOX15HSD17B10CYP3A4KMT2A
SCHEMBL24803738 0.81 HSD17B10 (0.42) KDM4EALOX15HSD17B10CYP3A4KMT2A

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-20220160905-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2022-05-26 US disclosed
US-20220160905-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2022-05-26 US disclosed
WO-2006017619-A2 RECEPTOR-BINDING CYCLIC PEPTIDES AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2006-02-16 WO disclosed
US-20060029544-A1 Receptor-binding cyclic peptides and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2006-02-09 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 (2 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-20220160905-A1 FLUORINATION METHOD AFF2, AFF1, AFF4 KDM4E 2786/4885ALOX15 2261/4885HSD17B10 2347/4885
US-20060029544-A1 Receptor-binding cyclic peptides and methods of use ITGB3, ITGB5, ITGA5 KDM4E 3616/4885ALOX15 3927/4885HSD17B10 4773/4885

“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.