Sugi Predict

Sugi Predict / Compounds / SCHEMBL16615644

SCHEMBL16615644

SCHEMBL16615644

CC(=CCCl)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SMYD2 Q9NRG4 3/20 0.35
▸ CYP3A4 P08684 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ LSS P48449 1/20 0.31
▸ MAPT P10636 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
SCHEMBL17997141 0.92 SMYD2 (0.36) SMYD2CYP3A4HTTSMN1; SMN2MAPT
SCHEMBL17968357 0.88 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2LSS
SCHEMBL19885025 0.88 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2LSS
SCHEMBL16615643 0.88 SMYD2 (0.35) SMYD2CYP3A4HTTSMN1; SMN2LSS
SCHEMBL19885026 0.86 SMYD2 (0.37) SMYD2CYP3A4HTTSMN1; SMN2MAPT
SCHEMBL30169868 0.83 BTN3A1 (0.33) SMYD2CYP3A4HTTSMN1; SMN2MAPT
SCHEMBL17670758 0.82 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2MAPT
SCHEMBL17670757 0.82 SMYD2 (0.39) SMYD2CYP3A4HTTSMN1; SMN2MAPT
SCHEMBL17968359 0.80 SMYD2 (0.32) SMYD2
SCHEMBL17968358 0.80 SMYD2 (0.32) SMYD2

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-20180051043-A1 PHOSPHATE SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-02-22 — — US disclosed
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-02-01 — — US disclosed
US-9861620-B2 Substituted quinolizine derivatives useful as HIV integrase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-01-09 — — US disclosed
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 — — US disclosed
US-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-08-11 — — US disclosed
WO-2015048363-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-04-02 — — 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 (3 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-20160228419-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS NQO2, CYP3A5, QTRT1 SMYD2 2398/4885CYP3A4 27/4885HTT 4588/4885
US-20180028509-A1 SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS NQO2, CYP3A5, QTRT1 SMYD2 2398/4885CYP3A4 27/4885HTT 4588/4885
US-20180051043-A1 PHOSPHATE SUBSTITUTED QUINOLIZINE DERIVATIVES USEFUL AS HIV INTEGRASE INHIBITORS TYMP, RPIA, NQO2 SMYD2 3167/4885CYP3A4 277/4885HTT 4769/4885

“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.