SCHEMBL21042214

SCHEMBL21042214

COc1cc(C(=O)N2C=CC[C@H]2C(=O)O[C@H](C)CCCCC[C@@H](O)C(N)=O)cc(OC)c1OC

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FKBP1A P62942 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
SCHEMBL19505787 0.89 FKBP1A (0.40) FKBP1A
SCHEMBL21042059 0.85 HTT (0.34) TSHR
SCHEMBL21042938 0.84 ALDH1A1 (0.35) FKBP1A
SCHEMBL21041357 0.83 PNLIP (0.30) —
SCHEMBL21042221 0.82 SMN1; SMN2 (0.31) SMN1; SMN2
SCHEMBL21042261 0.82 MGLL (0.35) —
SCHEMBL21041369 0.79 ALDH1A1 (0.35) —
SCHEMBL21042058 0.79 ALDH1A1 (0.35) —
SCHEMBL21042061 0.76 KMT2A (0.38) SMN1; SMN2
SCHEMBL19506188 0.75 FKBP1A (0.50) SMN1; SMN2FKBP1A

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
US-10647671-B2 Promysalin analogues and methods of use thereof Temple University—Of the Commonwealth System of Higher Education (US) 2020-05-12 — — US disclosed
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof Temple University--of the Commonwealth System of Higher Education 2019-05-30 — — 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 (2 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-10647671-B2 Promysalin analogues and methods of use thereof CCL11, MAN2A1, PREP TSHR 4103/4885SMN1; SMN2 2610/4885FKBP1A 1819/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 TSHR 4165/4885SMN1; SMN2 2576/4885FKBP1A 2077/4885

“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.

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