SCHEMBL24483682

SCHEMBL24483682

C[C@@H]1CC[C@H](S(=O)(=O)c2ccccc2)C[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ELOVL6 Q9H5J4 5/20 0.40
▸ MMP13 P45452 3/20 0.40
▸ MMP8 P22894 2/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ACHE P22303 1/20 0.38
▸ AKR1C3 P42330 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL27095423 0.80 HTR2A (0.45) HTR2AMAPTELOVL6MMP13MMP8
SCHEMBL2048495 0.76 HTR2A (0.59) HTR2AMAPTMMP13MMP8MMP1
SCHEMBL24483696 0.76 MMP13 (0.40) HTR2AMAPTELOVL6MMP13MMP8
SCHEMBL11120903 0.75 HTR2A (0.51) HTR2AMAPTELOVL6KCNH2HTR2C
SCHEMBL24483535 0.74 POLB (0.41) MAPTACHEALDH1A1KDM4EMEN1
SCHEMBL24483976 0.74 POLB (0.41) MAPTACHEALDH1A1KDM4EMEN1
SCHEMBL9727592 0.73 HTR2A (0.49) HTR2AMAPTELOVL6MMP13MMP8
SCHEMBL16863988 0.72 HTR2A (0.56) HTR2AMAPTELOVL6KCNH2HTR2C
SCHEMBL23720121 0.71 L3MBTL1 (0.46) HTR2AMAPTMMP8ACHEALDH1A1
Cyanide SCHEMBL27638463 0.71 HTR2A (0.54) HTR2AMAPTMMP13MMP8MMP1

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-20220169580-A1 METHODS OF CARBON-CARBON BOND FRAGMENTATION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-06-02 — — 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-20220169580-A1 METHODS OF CARBON-CARBON BOND FRAGMENTATION CYCS, COX6C, COXFA4L2 HTR2A 4430/4885MAPT 4085/4885ELOVL6 363/4885

“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.

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