SCHEMBL24045909

SCHEMBL24045909

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 5/20 0.64
CXCR2 P25025 5/20 0.64
PTGS1 P23219 3/20 0.64
PTGS2 P35354 3/20 0.64
LMNA P02545 2/20 0.64
CYP2C9 P11712 2/20 0.64
AKR1C3 P42330 2/20 0.64
ALB P02768 1/20 0.64
ESR1 P03372 1/20 0.64
ALOX5 P09917 1/20 0.64
RARB P10826 1/20 0.64
ADRB3 P13945 1/20 0.64
NFKB1 P19838 1/20 0.64
HTR2A P28223 1/20 0.64
NR1I3 Q14994 1/20 0.64
SLC22A6 Q4U2R8 1/20 0.64
CXCL8 P10145 1/20 0.64
TSHR P16473 1/20 0.64
AKR1C2 P52895 1/20 0.64
BLM P54132 1/20 0.64

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
SCHEMBL24046004 1.00 CXCR1 (0.64) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL24045925 1.00 CXCR1 (0.64) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL24045922 0.87 CXCR1 (0.59) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL20738760 0.87 EPHX1 (0.65) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL27807966 0.85 CXCR1 (0.68) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL24045781 0.85 CXCR1 (0.68) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL23763764 0.83 CHRM1 (0.73) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL24045918 0.81 CXCR1 (0.62) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL24045928 0.81 CXCR1 (0.62) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL9525848 0.81 CXCR1 (0.62) CXCR1CXCR2PTGS1PTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210361597-A1 Synthesis of Ibuprofen Hybrid Conjugates as Anti-Inflammatory and Analgesic Agents AUGUSTA UNIVERSITY RESEARCH INSTITUTE, INC. (US) 2021-11-25 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-20210361597-A1 Synthesis of Ibuprofen Hybrid Conjugates as Anti-Inflammatory and Analgesic Agents PTGES, DNPEP, PTGES2 CXCR1 3008/4885CXCR2 726/4885PTGS1 7/4885

“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.