SCHEMBL23869332

SCHEMBL23869332

BS(=O)(=O)NC(=O)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.39
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA12 O43570 1/20 0.34
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CA4 P22748 1/20 0.32
GAA P10253 1/20 0.30
CA14 Q9ULX7 1/20 0.30

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
SCHEMBL28420215 0.76 ALDH1A1 (0.44) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL4070679 0.76 NPSR1 (0.48) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL84561 0.74 ALDH1A1 (0.42) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL24915652 0.74 ALDH1A1 (0.42) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL10254652 0.74 ALDH1A1 (0.47) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL10154731 0.72 ALDH1A1 (0.41) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL6697856 0.72 ALDH1A1 (0.41) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL9911480 0.70 CA1 (0.44) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL8908252 0.70 ALDH1A1 (0.40) ALDH1A1NPSR1CA1CA2CA9
SCHEMBL20348772 0.70 ALDH1A1 (0.40) ALDH1A1NPSR1CA1CA2CA9

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-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 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-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT ALDH1A1 373/4885NPSR1 1173/4885CA1 806/4885

“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.