SCHEMBL5664623

SCHEMBL5664623

COc1cc2c(cc1NS(C)(=O)=O)OC(C)(C)[C@H](O)[C@H]2NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABCC9 O60706 7/20 0.40
ABCB1 P08183 2/20 0.36
KCNA5 P22460 1/20 0.35
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL5664620 1.00 ALDH1A1 (0.42) ALDH1A1MEN1KMT2ASMN1; SMN2ABCC9
SCHEMBL13199544 0.86 ABCB1 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2ABCC9
SCHEMBL2880571 0.83 KCNH2 (0.40) ALDH1A1SMN1; SMN2ABCC9
SCHEMBL2880578 0.83 KCNH2 (0.40) ALDH1A1SMN1; SMN2ABCC9
SCHEMBL2883993 0.82 KCNA5 (0.41) ALDH1A1MEN1KMT2ASMN1; SMN2ABCB1
SCHEMBL13199547 0.81 ALDH1A1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL2887357 0.81 ABCC9 (0.42) ABCC9ABCB1
SCHEMBL2887359 0.81 ABCC9 (0.42) ABCC9ABCB1
SCHEMBL2889523 0.81 IDO1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2ABCC9
SCHEMBL2889524 0.81 IDO1 (0.40) ALDH1A1MEN1KMT2ASMN1; SMN2ABCC9

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-20070299130-A1 Benzopyran Compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2007-12-27 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-20070299130-A1 Benzopyran Compound NR0B1, CYP2B6, RYR2 ALDH1A1 2971/4885MEN1 3048/4885KMT2A 2949/4885

“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.