SCHEMBL23007232

SCHEMBL23007232

CCOC(=O)n1ccc(=O)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.40
PIN4 Q9Y237 1/20 0.40
LPO P22079 4/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
TSHR P16473 1/20 0.37
GSK3A P49840 1/20 0.37
GSK3B P49841 1/20 0.37
ALDH1A1 P00352 4/20 0.37
BCHE P06276 1/20 0.37
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL18577606 0.76 KDM4E (0.41) LMNAALDH1A1BCHEGAAMAPT
SCHEMBL2256676 0.70 SMN1; SMN2 (0.39) LPOLMNACYP1A2TSHRGSK3A
SCHEMBL7548705 0.70 LPO (0.50) LPOLMNACYP1A2ALDH1A1BCHE
SCHEMBL7472670 0.67
SCHEMBL29266177 0.67 LPO (0.42) PIN1PIN4LPOLMNACYP1A2
SCHEMBL7109135 0.67 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL6937491 0.66 L3MBTL1 (0.55) PIN1PIN4LMNAGSK3AGSK3B
SCHEMBL5113974 0.65 ALDH1A1 (0.48) TSHRALDH1A1GAASMN1; SMN2HPGD
SCHEMBL24533108 0.64 TSHR (0.46) LMNATSHRALDH1A1GAAMAPT
SCHEMBL10990597 0.63 HPGD (0.48) LPOLMNACYP1A2TSHRALDH1A1

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-20210047295-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR VERTEX PHARMACEUTICALS INCORPORATED 2021-02-18 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-20210047295-A1 MODULATOR OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR, PHARMACEUTICAL COMPOSITIONS, METHODS OF TREATMENT, AND PROCESS FOR MAKING THE MODULATOR CFTR, SLC26A4, TMEM109 PIN1 4517/4885PIN4 4759/4885LPO 2994/4885

“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.