SCHEMBL21042217

SCHEMBL21042217

C[C@H](CCCCC[C@@H](O)C(N)=O)OC(=O)[C@@H]1CCCCN1C(=O)c1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FKBP1A P62942 14/20 0.42
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KCNK3 O14649 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
SCHEMBL21042213 0.97 CNR1 (0.39) FKBP1ACNR1CNR2KCNK3
SCHEMBL19505773 0.89 FKBP1A (0.48) FKBP1A
SCHEMBL29593544 0.86 FKBP1A (0.45) FKBP1ACNR1CNR2
SCHEMBL19506075 0.86 FKBP1A (0.45) FKBP1ACNR1CNR2
SCHEMBL21041363 0.84 PIK3CD (0.39) MEN1KMT2A
SCHEMBL21041369 0.81 ALDH1A1 (0.35) —
SCHEMBL21042058 0.81 ALDH1A1 (0.35) —
SCHEMBL21042231 0.80 ALDH1A1 (0.34) —
SCHEMBL21042060 0.79 ALDH1A1 (0.34) —
SCHEMBL19505774 0.76 FKBP1A (0.44) FKBP1AMEN1TSHRKMT2A

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 FKBP1A 1819/4885CNR1 1289/4885CNR2 1183/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 FKBP1A 2077/4885CNR1 1776/4885CNR2 1844/4885

“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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