SCHEMBL6540974

SCHEMBL6540974

C[C@@H](N)Cc1ccc(S(=O)(=O)c2cccc(OCC(=O)O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
CA12 O43570 12/20 0.50
CA1 P00915 12/20 0.50
CA2 P00918 12/20 0.50
CA4 P22748 12/20 0.50
CA9 Q16790 12/20 0.50
LMNA P02545 1/20 0.47

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
SCHEMBL6539185 0.89 ALDH1A1 (0.68) ALDH1A1LMNA
SCHEMBL6554516 0.83 POLB (0.50) LMNA
SCHEMBL6540961 0.82 APEX1 (0.49) ALDH1A1
SCHEMBL6541394 0.82 ABCC9 (0.44) ALDH1A1CA12CA1CA2CA4
SCHEMBL6540375 0.81 PTPN1 (0.45) ALDH1A1
SCHEMBL6680807 0.81 AKR1C3 (0.48) ALDH1A1
SCHEMBL6540959 0.81 TDP1 (0.48) ALDH1A1LMNA
SCHEMBL6554514 0.81 MTNR1B (0.41)
SCHEMBL14944934 0.79 SLC6A4 (0.56) ALDH1A1
SCHEMBL9651945 0.79 SLC6A4 (0.56) ALDH1A1

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 ALDH1A1 188/4885CA12 4283/4885CA1 4181/4885

“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.