SCHEMBL21042213

SCHEMBL21042213

C[C@H](CCCCC[C@@H](O)C(N)=O)OC(=O)[C@@H]1CCCN1C(=O)c1ccccc1O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ FKBP1A P62942 4/20 0.39
▸ KCNK3 O14649 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SPHK1 Q9NYA1 5/20 0.36
▸ SPHK2 Q9NRA0 3/20 0.36
▸ HTR1A P08908 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL21042217 0.97 FKBP1A (0.42) CNR1CNR2FKBP1AKCNK3
SCHEMBL29593544 0.88 FKBP1A (0.45) CNR1CNR2FKBP1ASPHK1SPHK2
SCHEMBL19506075 0.88 FKBP1A (0.45) CNR1CNR2FKBP1ASPHK1SPHK2
SCHEMBL19505773 0.86 FKBP1A (0.48) FKBP1ASPHK1SPHK2
SCHEMBL21041363 0.85 PIK3CD (0.39) ALDH1A1
SCHEMBL21042058 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL21041369 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL21042231 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL21042060 0.80 ALDH1A1 (0.34) ALDH1A1
SCHEMBL19505980 0.75 FKBP1A (0.41) CNR1CNR2FKBP1ASPHK1SPHK2

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