SCHEMBL21042938

SCHEMBL21042938

C[C@H](CCCCC[C@@H](O)C(N)=O)OC(=O)[C@@H]1CC=CN1C(=O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ PIK3CD O00329 1/20 0.34
▸ NAAA Q02083 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ABCB1 P08183 1/20 0.31
▸ FKBP1A P62942 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ SCN1A P35498 1/20 0.30
▸ SCN2A Q99250 1/20 0.30
▸ SCN3A Q9NY46 1/20 0.30
▸ TRPM8 Q7Z2W7 1/20 0.30
▸ CAPN1 P07384 1/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ OXTR P30559 1/20 0.30

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
SCHEMBL21041357 0.91 PNLIP (0.30) —
SCHEMBL21042479 0.90 ALDH1A1 (0.36) ALDH1A1PIK3CDNAAANPC1FKBP1A
SCHEMBL21042261 0.90 MGLL (0.35) —
SCHEMBL21042058 0.89 ALDH1A1 (0.35) ALDH1A1
SCHEMBL21041369 0.89 ALDH1A1 (0.35) ALDH1A1
SCHEMBL19505770 0.87 FKBP1A (0.36) ALDH1A1FKBP1A
SCHEMBL21042059 0.87 HTT (0.34) ALDH1A1KMT2ALMNAPOLB
SCHEMBL21042061 0.85 KMT2A (0.38) ALDH1A1NPC1KMT2ALMNAL3MBTL1
SCHEMBL21042214 0.84 TSHR (0.37) FKBP1A
SCHEMBL21042221 0.83 SMN1; SMN2 (0.31) —

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 ALDH1A1 2458/4885PIK3CD 4409/4885NAAA 118/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 ALDH1A1 2906/4885PIK3CD 4381/4885NAAA 183/4885

“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.

Send feedback