Sugi Predict

Sugi Predict / Compounds / SCHEMBL19780155

SCHEMBL19780155

SCHEMBL19780155

C[Si](C)(C)CCOCn1cc(C(=O)OCc2ccccc2)nc1/C=N/O

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 3/20 0.57
▸ TSHR P16473 4/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ ALDH1A1 P00352 5/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ F11 P03951 1/20 0.33

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
SCHEMBL20531461 1.00 DGAT1 (0.57) DGAT1TSHRMAPK1TDP1KMT2A
SCHEMBL19780512 0.89 DGAT1 (0.60) DGAT1TSHRMAPK1TDP1KMT2A
SCHEMBL19780157 0.83 DGAT1 (0.38) DGAT1L3MBTL1KLKB1
SCHEMBL20531562 0.83 DGAT1 (0.38) DGAT1L3MBTL1KLKB1
SCHEMBL20531674 0.83 DGAT1 (0.38) DGAT1L3MBTL1KLKB1
SCHEMBL13733546 0.83 DGAT1 (0.61) DGAT1TSHRMAPK1TDP1KMT2A
SCHEMBL19780156 0.80 DGAT1 (0.59) DGAT1TSHRMAPK1TDP1KMT2A
SCHEMBL16331123 0.80 DGAT1 (0.61) DGAT1TSHRMAPK1KMT2AALDH1A1
SCHEMBL13734316 0.79 DGAT1 (0.58) DGAT1TSHRMAPK1TDP1KMT2A
SCHEMBL16661173 0.78 DGAT1 (0.69) DGAT1KMT2AALDH1A1SMN1; SMN2HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-12-23 — — US disclosed
US-10781200-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2020-09-22 — — US disclosed
US-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-07-30 — — US disclosed
US-10301284-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-05-28 — — US disclosed
WO-2018011628-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2018-01-18 — — 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 (4 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-20200239435-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 DGAT1 2183/4885TSHR 4687/4885MAPK1 1148/4885
US-20210395221-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 DGAT1 2183/4885TSHR 4687/4885MAPK1 1148/4885
US-10781200-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 DGAT1 2183/4885TSHR 4687/4885MAPK1 1148/4885
US-10301284-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 DGAT1 2183/4885TSHR 4687/4885MAPK1 1148/4885

“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.