SCHEMBL20443155

SCHEMBL20443155

CN1C(=O)c2ccc(OCCCCCO)cc2S1(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PNLIP P16233 4/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
PDK2 Q15119 3/20 0.39
ALDH2 P05091 3/20 0.39
ELANE P08246 1/20 0.39
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL20423635 0.74 CA12 (0.47) CA2CA9KDM4EPNLIPKMT2A
SCHEMBL19198268 0.69 CYP1A2 (0.46) CA9KDM4EALDH1A1MEN1HTT
SCHEMBL11796342 0.68 PNLIP (0.55) ALDH1A1PNLIPMEN1KMT2APDK2
SCHEMBL2616815 0.68 CA9 (0.59) CA2CA9ALDH1A1MEN1KMT2A
SCHEMBL8670888 0.68 CA12 (0.49) CA2CA9KDM4EALDH1A1MAPK1
SCHEMBL13534186 0.67 CA9 (0.58) CA2CA9MAPK1MEN1HTT
SCHEMBL17097221 0.67 CA9 (0.58) CA2CA9ALDH1A1MEN1KMT2A
SCHEMBL19621751 0.66 PRMT1 (0.54) ALDH1A1TSHR
SCHEMBL8176019 0.66 DRD1 (0.53)
SCHEMBL8187878 0.66 DRD1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. (US) 2023-06-15 US disclosed
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME ARVINAS OPERATIONS, INC. 2018-08-02 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 (2 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-20230183209-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CA2 3502/4885CA9 3375/4885KDM4E 1613/4885
US-20180215731-A1 CEREBLON LIGANDS AND BIFUNCTIONAL COMPOUNDS COMPRISING THE SAME CRBN, CBL, MDM2 CA2 3502/4885CA9 3375/4885KDM4E 1613/4885

“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.