Sugi Predict

Sugi Predict / Compounds / SCHEMBL19615511

SCHEMBL19615511

SCHEMBL19615511

C#CC1C[C@H](CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N(C(=O)O)C1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SMYD2 Q9NRG4 3/20 0.35
▸ CYP3A4 P08684 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ RIPK1 Q13546 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
SCHEMBL18587736 1.00 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL19898853 0.89 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2
SCHEMBL20485334 0.86 SMYD2 (0.35) SMYD2
SCHEMBL18587230 0.86 SMYD2 (0.35) SMYD2
SCHEMBL25364479 0.84 RIPK1 (0.42) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL2146189 0.84 RIPK1 (0.42) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL18587707 0.84 RIPK1 (0.42) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL25365732 0.84 RIPK1 (0.42) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL20485407 0.83 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2RIPK1
SCHEMBL18587235 0.83 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES ACTELION PHARMACEUTICALS, LTD. (CH) 2019-10-17 — — US disclosed
US-10314823-B2 Substituted 1,2-dihydro-3H-pyrrolo[1,2-c]imidazol-3-one antibacterial compounds IDORSIA PHARMACEUTICALS LTD (CH) 2019-06-11 — — US disclosed
EP-3458453-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES Idorsia Pharmaceuticals Ltd (CH) 2019-03-27 — — EP disclosed
US-20190031676-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2019-01-31 — — US disclosed
US-20180250273-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-c]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS IDORSIA PHARMACEUTICALS LTD. (CH) 2018-09-06 — — US disclosed
WO-2017198647-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2017-11-23 — — 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-20190315731-A1 6-(BUTA-1,3-DIYN-1-YL)BENZO[D]THIAZOLE DERIVATIVES TMBIM6, BTN3A1, BET1 SMYD2 4049/4885CYP3A4 804/4885HTT 3231/4885
US-10314823-B2 Substituted 1,2-dihydro-3H-pyrrolo[1,2-c]imidazol-3-one antibacterial compounds MRPL21, MRM1, MT-CO1 SMYD2 1170/4885CYP3A4 1367/4885HTT 4600/4885
US-20180250273-A1 SUBSTITUTED 1,2-DIHYDRO-3H-PYRROLO[1,2-c]IMIDAZOL-3-ONE ANTIBACTERIAL COMPOUNDS MRPL21, MRM1, MT-CO1 SMYD2 1170/4885CYP3A4 1367/4885HTT 4600/4885
US-20190031676-A1 ANTIBACTERIAL ANNULATED PYRROLIDIN-2-ONE DERIVATIVES PYCR1, PSPH, RPSA SMYD2 49/4885CYP3A4 3357/4885HTT 4041/4885

“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.