SCHEMBL19505780

SCHEMBL19505780

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PIK3CD O00329 1/20 0.36
▸ HCRTR2 O43614 7/20 0.36
▸ HCRTR1 O43613 6/20 0.36
▸ VHL P40337 2/20 0.36
▸ ELOC Q15369 1/20 0.35
▸ ELOB Q15370 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TP53 P04637 1/20 0.34

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
SCHEMBL19505779 0.90 MEN1 (0.42) MEN1TSHRKMT2APIK3CDHCRTR2
SCHEMBL19475169 0.84 HCRTR2 (0.35) MEN1TSHRKMT2AHCRTR2HCRTR1
SCHEMBL19475398 0.79 NPSR1 (0.38) MEN1TSHRKMT2AHCRTR2HCRTR1
SCHEMBL19475396 0.79 NPSR1 (0.38) MEN1TSHRKMT2AHCRTR2HCRTR1
SCHEMBL19475315 0.78 KDM4E (0.36) MEN1TSHRKMT2AHCRTR2HCRTR1
SCHEMBL19475313 0.78 KDM4E (0.36) MEN1TSHRKMT2AHCRTR2HCRTR1
SCHEMBL19505984 0.78 MEN1 (0.35) MEN1KMT2AHCRTR2HCRTR1
SCHEMBL19475330 0.77 HTT (0.36) MEN1TSHRKMT2AHCRTR2HCRTR1
SCHEMBL19475329 0.77 HTT (0.36) MEN1TSHRKMT2AHCRTR2HCRTR1
SCHEMBL11638150 0.76 KDM4E (0.49) ATMMEN1TSHRKMT2APIK3CD

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 3 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

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 ATM 4356/4885MEN1 443/4885TSHR 4103/4885
US-20190161444-A1 Novel Promysalin Analogues and Methods of Use Thereof MASP2, MAN2A1, CCL11 ATM 4330/4885MEN1 484/4885TSHR 4165/4885

“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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