SCHEMBL27095423

SCHEMBL27095423

O=S(=O)(c1ccccc1)C1CC[C@@H](O)C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MMP13 P45452 3/20 0.43
▸ MMP8 P22894 2/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ HTR2C P28335 2/20 0.43
▸ ELOVL6 Q9H5J4 4/20 0.42
▸ AKR1C3 P42330 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39

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
SCHEMBL11120903 0.89 HTR2A (0.51) HTR2AMAPTKCNH2HTR2CELOVL6
SCHEMBL2048495 0.82 HTR2A (0.59) HTR2AMAPTMMP13MMP8MMP1
SCHEMBL24483682 0.80 HTR2A (0.41) HTR2AMAPTMMP13MMP8MMP1
SCHEMBL9727592 0.78 HTR2A (0.49) HTR2AMAPTMMP13MMP8MMP1
SCHEMBL7212033 0.77 MMP13 (0.71) HTR2AMAPTMMP13MMP8MMP1
SCHEMBL16863988 0.77 HTR2A (0.56) HTR2AMAPTKCNH2HTR2CELOVL6
SCHEMBL11090180 0.77 TSHR (0.64) MAPTMMP13MMP8MMP1SMN1; SMN2
Cyanide SCHEMBL27638463 0.76 HTR2A (0.54) HTR2AMAPTMMP13MMP8MMP1
SCHEMBL11645759 0.75 ELOVL6 (0.40) HTR2AMAPTMMP13MMP8MMP1
SCHEMBL777971 0.74 MAPT (0.56) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240058456-A1 MOLECULES WITH SOLUBILITY TAG AND RELATED METHODS MERCK KGAA (DE) 2024-02-22 — — US disclosed
EP-4213884-A1 MOLECULES WITH SOLUBILITY TAG AND RELATED METHODS Merck Patent GmbH (DE) 2023-07-26 — — EP disclosed
WO-2022058548-A1 MOLECULES WITH SOLUBILITY TAG AND RELATED METHODS MERCK PATENT GMBH (DE) 2022-03-24 — — WO 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-20240058456-A1 MOLECULES WITH SOLUBILITY TAG AND RELATED METHODS STT3B, STT3A, CD2BP2 HTR2A 3477/4885MAPT 943/4885MMP13 368/4885

“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.

Send feedback