SCHEMBL24045899

SCHEMBL24045899

CC(C)Cc1ccc(C(C)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccc(O)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.77
CRHBP P24387 2/20 0.77
CRHR2 Q13324 2/20 0.77
GAA P10253 1/20 0.77
SMN1; SMN2 Q16637 1/20 0.77
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
CA4 P22748 1/20 0.56
CA9 Q16790 1/20 0.56
CHRM1 P11229 1/20 0.52
PDE4A P27815 1/20 0.52
RAB9A P51151 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ACE P12821 1/20 0.49
MME P08473 1/20 0.49
CXCR1 P25024 3/20 0.49
CXCR2 P25025 3/20 0.49
MAPK1 P28482 1/20 0.49
FOLH1 Q04609 1/20 0.49

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
SCHEMBL24045772 0.88 MAPT (0.73) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL24045916 0.86 MAPT (0.82) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL24045901 0.85 MAPT (0.69) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL24045907 0.85 MAPT (0.69) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL24045908 0.84 MAPT (0.79) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL24045980 0.81 MAPT (0.73) MAPTCRHBPCRHR2GAASMN1; SMN2
SCHEMBL24045918 0.81 CXCR1 (0.62) CHRM1PDE4AMMECXCR1CXCR2
SCHEMBL3151143 0.81 CXCR1 (0.62) CHRM1PDE4AMMECXCR1CXCR2
SCHEMBL24045928 0.81 CXCR1 (0.62) CHRM1PDE4AMMECXCR1CXCR2
SCHEMBL29275092 0.79 GAA (0.62) MAPTCRHBPCRHR2GAASMN1; SMN2

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 MAPT 1656/4885CRHBP 109/4885CRHR2 749/4885

“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.