Sugi Predict

Sugi Predict / Compounds / SCHEMBL19285641

SCHEMBL19285641

SCHEMBL19285641

CC(N)CC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ PSMB5 P28074 1/20 0.33
▸ METAP2 P50579 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ SMYD2 Q9NRG4 1/20 0.32
▸ KIF11 P52732 4/20 0.32
▸ MTNR1A P48039 3/20 0.32
▸ MTNR1B P49286 3/20 0.32
▸ CTSS P25774 1/20 0.31
▸ CTSK P43235 1/20 0.31

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
SCHEMBL20742878 1.00 SMN1; SMN2 (0.33) SMN1; SMN2CYP3A4HTTPSMB5METAP2
SCHEMBL20569784 1.00 SMN1; SMN2 (0.33) SMN1; SMN2CYP3A4HTTPSMB5METAP2
SCHEMBL19285490 0.91 CYP3A4 (0.32) SMN1; SMN2CYP3A4HTTPSMB5METAP2
SCHEMBL20494817 0.91 CYP3A4 (0.32) SMN1; SMN2CYP3A4HTTPSMB5METAP2
SCHEMBL20571059 0.89 MTNR1A (0.37) SMN1; SMN2CYP3A4HTTMTNR1AMTNR1B
SCHEMBL19285544 0.89 MTNR1A (0.37) SMN1; SMN2CYP3A4HTTMTNR1AMTNR1B
SCHEMBL20742851 0.89 MTNR1A (0.37) SMN1; SMN2CYP3A4HTTMTNR1AMTNR1B
SCHEMBL17209666 0.89 SMN1; SMN2 (0.34) SMN1; SMN2CYP3A4HTTPSMB5SMYD2
SCHEMBL2790970 0.89 SMN1; SMN2 (0.34) SMN1; SMN2CYP3A4HTTPSMB5SMYD2
SCHEMBL19300691 0.89 ATM (0.42) CTSSCTSK

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-11826357-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2023-11-28 — — US disclosed
US-10836706-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-17 — — US disclosed
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-06-25 — — US disclosed
US-20190055188-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2019-02-21 — — US disclosed
WO-2017147335-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-31 — — 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-10836706-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 SMN1; SMN2 4878/4885CYP3A4 621/4885HTT 4490/4885
US-20200197382-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 SMN1; SMN2 4875/4885CYP3A4 524/4885HTT 4449/4885
US-20190055188-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 SMN1; SMN2 4878/4885CYP3A4 621/4885HTT 4490/4885
US-11826357-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 SMN1; SMN2 4875/4885CYP3A4 524/4885HTT 4449/4885

“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.