SCHEMBL19475396

SCHEMBL19475396

C[Si](C)(C)CCOCOc1ccccc1C(=O)N1C=CC[C@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.38
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 4/20 0.35
▸ GAA P10253 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ PTK2B Q14289 1/20 0.34
▸ BCHE P06276 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ NOD2 Q9HC29 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ DRD1 P21728 1/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 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
SCHEMBL19475398 1.00 NPSR1 (0.38) NPSR1LMNAKMT2AGAAKDM4E
SCHEMBL19505791 0.90 NPSR1 (0.36) NPSR1LMNAKMT2AGAAKDM4E
SCHEMBL19474996 0.89 L3MBTL1 (0.31) NPSR1L3MBTL1ALDH1A1SMN1; SMN2HCRTR1
SCHEMBL19474997 0.89 L3MBTL1 (0.31) NPSR1L3MBTL1ALDH1A1SMN1; SMN2HCRTR1
SCHEMBL19475319 0.88 FFAR2 (0.38) NPSR1LMNAKMT2AGAAKDM4E
SCHEMBL20996800 0.88 FFAR2 (0.38) NPSR1LMNAKMT2AGAAKDM4E
SCHEMBL19475397 0.85 SMN1; SMN2 (0.37) GAAKDM4EALDH1A1SMN1; SMN2TSHR
SCHEMBL19475763 0.85 NFKB1 (0.33) —
SCHEMBL19475762 0.85 NFKB1 (0.33) —
SCHEMBL19475399 0.85 SMN1; SMN2 (0.37) GAAKDM4EALDH1A1SMN1; SMN2TSHR

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 4 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
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 — — WO disclosed
WO-2017184558-A1 NOVEL PROMYSALIN ANALOGUES AND METHODS OF USE THEREOF TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2017-10-26 — — WO 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 NPSR1 143/4885LMNA 2493/4885KMT2A 1988/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 NPSR1 209/4885LMNA 2614/4885KMT2A 2088/4885

“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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