SCHEMBL25909467

SCHEMBL25909467

CC(=O)Oc1ccc(C#N)cc1C#CS(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.41
MAOB P27338 1/20 0.37
NCEH1 Q6PIU2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
RAB9A P51151 1/20 0.36
AR P10275 1/20 0.35
CFD P00746 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35
FFAR1 O14842 1/20 0.34
GAPDH P04406 1/20 0.34
PIM1 P11309 1/20 0.33
TYMS P04818 1/20 0.33

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
SCHEMBL23977436 0.81 AR (0.44) PTGDR2ALDH1A1KDM4EAR
SCHEMBL3536980 0.81 PTGDR2 (0.51) PTGDR2MAOBALDH1A1KDM4EGAA
SCHEMBL30225422 0.81 PTGDR2 (0.40) PTGDR2MAOBNCEH1ALDH1A1KDM4E
SCHEMBL23977315 0.81 PTGDR2 (0.40) PTGDR2MAOBNCEH1ALDH1A1KDM4E
SCHEMBL7067974 0.77 TSHR (0.53) PTGDR2MAOBNCEH1ALDH1A1KDM4E
SCHEMBL24227108 0.76 CA12 (0.41) ALDH1A1KDM4EGAATSHRRAB9A
SCHEMBL5780141 0.74 MRGPRX4 (0.49) PTGDR2MAOBNCEH1ALDH1A1KDM4E
SCHEMBL23614061 0.73 TNFSF11 (0.50) NCEH1ALDH1A1KDM4EGAATSHR
SCHEMBL3541792 0.73 NCEH1 (0.47) PTGDR2MAOBNCEH1ALDH1A1KDM4E
SCHEMBL11673708 0.73 TSHR (0.57) ALDH1A1KDM4EGAATSHRRAB9A

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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES SYDDANSK UNIVERSITET (DK) 2023-07-13 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-20230219964-A1 ANTIBACTERIAL AND ANTIFUNGAL PLEUROMUTILIN CONJUGATES HDAC6, Q6ZSR9, MON2 PTGDR2 4418/4885MAOB 916/4885NCEH1 3412/4885

“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.