SCHEMBL19871016

SCHEMBL19871016

COC(=O)[C@@H](C)C(C)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
CA14 Q9ULX7 3/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
DGAT1 O75907 1/20 0.32

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
SCHEMBL13040988 1.00 SMN1; SMN2 (0.38) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL3614148 0.78 SMN1; SMN2 (0.35) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL3507282 0.78 SMN1; SMN2 (0.35) SMN1; SMN2CA14CA12CA1CA2
SCHEMBL3507280 0.78 SMN1; SMN2 (0.35) SMN1; SMN2CA14CA12CA1CA2
Hydrochloric Acid SCHEMBL5422419 0.77 SMN1; SMN2 (0.34) SMN1; SMN2CA14CA12
Hydrochloric Acid SCHEMBL22321971 0.77 SMN1; SMN2 (0.34) SMN1; SMN2CA14CA12
Hydrochloric Acid SCHEMBL5422423 0.77 SMN1; SMN2 (0.34) SMN1; SMN2CA14CA12
Hydrochloric Acid SCHEMBL3504997 0.77 SMN1; SMN2 (0.34) SMN1; SMN2CA14CA12
Hydrochloric Acid SCHEMBL3505000 0.77 SMN1; SMN2 (0.34) SMN1; SMN2CA14CA12
SCHEMBL14963179 0.76 TP53 (0.35)

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-20180044303-A1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE ONCOLOGY LIMITED (IN) 2018-02-15 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-20180044303-A1 1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS PDCD1, PDCD1LG2, CD274 SMN1; SMN2 4412/4885CA14 4551/4885CA12 4580/4885

“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.