SCHEMBL22004191

SCHEMBL22004191

C[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2O)C[C@H](C)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACLY P53396 10/20 1.00
SMN1; SMN2 Q16637 3/20 0.58
TSHR P16473 2/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 1/20 0.44
CXCR2 P25025 1/20 0.43

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
SCHEMBL4612664 0.77 ACLY (0.62) ACLYTSHRCA1CA2HTT
SCHEMBL10068284 0.77 ACLY (0.62) ACLYCA1CA2HTT
SCHEMBL12626450 0.75 ACLY (0.59) ACLYTSHRCA1CA2ALDH1A1
SCHEMBL10037141 0.73 ACLY (0.58) ACLYCA1CA2ALDH1A1
SCHEMBL4611818 0.70 ACLY (0.54) ACLYTSHRCA1CA2ALDH1A1
SCHEMBL5307105 0.70 KMT2A (0.69) ACLYSMN1; SMN2TSHRHTTALDH1A1
SCHEMBL4610558 0.70 ACLY (0.53) ACLYCA1CA2
SCHEMBL22004411 0.68 ACLY (1.00) ACLYSMN1; SMN2
SCHEMBL14544494 0.68 CA1 (0.66) ACLYTSHRCA1CA2ALDH1A1
SCHEMBL22004196 0.68 ACLY (1.00) ACLY

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
WO-2020102616-A1 ACLY INHIBITORS AND USES THEREOF Nimbus Artemis, Inc. (US) 2020-05-22 WO disclosed
US-20200157076-A1 ACLY INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2020-05-21 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-20200157076-A1 ACLY INHIBITORS AND USES THEREOF ACLY, ATP5ME, ATP5MG ACLY 1/4885SMN1; SMN2 4811/4885TSHR 4803/4885

“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.