SCHEMBL19285490

SCHEMBL19285490

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
METAP2 P50579 1/20 0.31
SMYD2 Q9NRG4 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
KIF11 P52732 3/20 0.30
CTSK P43235 2/20 0.30
MTNR1A P48039 2/20 0.30
MTNR1B P49286 2/20 0.30
PSMB5 P28074 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
SCHEMBL20494817 1.00 CYP3A4 (0.32) CYP3A4HTTSMN1; SMN2METAP2SMYD2
SCHEMBL20569784 0.91 SMN1; SMN2 (0.33) CYP3A4HTTSMN1; SMN2METAP2SMYD2
SCHEMBL19285641 0.91 SMN1; SMN2 (0.33) CYP3A4HTTSMN1; SMN2METAP2SMYD2
SCHEMBL20742878 0.91 SMN1; SMN2 (0.33) CYP3A4HTTSMN1; SMN2METAP2SMYD2
SCHEMBL19301049 0.89 ATM (0.41) CTSK
SCHEMBL28356347 0.89 ATM (0.41) CTSK
SCHEMBL19285506 0.87 CYP3A4 (0.32) CYP3A4HTTSMN1; SMN2SMYD2CTSK
SCHEMBL20494607 0.87 CYP3A4 (0.32) CYP3A4HTTSMN1; SMN2SMYD2CTSK
SCHEMBL20742851 0.87 MTNR1A (0.37) CYP3A4HTTSMN1; SMN2MTNR1AMTNR1B
SCHEMBL19285544 0.87 MTNR1A (0.37) CYP3A4HTTSMN1; SMN2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11993571-B2 Indole derivatives as efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-05-28 US disclosed
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 US disclosed
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2021-04-01 US disclosed
US-10836706-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2020-11-17 US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 US disclosed
US-20190055188-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2019-02-21 US disclosed
WO-2018165611-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 WO disclosed
WO-2018165612-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 WO 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 (6 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-11180459-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 CYP3A4 524/4885HTT 4449/4885SMN1; SMN2 4875/4885
US-10836706-B2 Bacterial efflux pump inhibitors ABCB11, ABCB1, SLC47A1 CYP3A4 621/4885HTT 4490/4885SMN1; SMN2 4878/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 CYP3A4 524/4885HTT 4449/4885SMN1; SMN2 4875/4885
US-20210094912-A1 INDOLE DERIVATIVES AS EFFLUX PUMP INHIBITORS ABCB11, ABCB1, ABCG2 CYP3A4 175/4885HTT 3888/4885SMN1; SMN2 4885/4885
US-20190055188-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 CYP3A4 621/4885HTT 4490/4885SMN1; SMN2 4878/4885
US-11993571-B2 Indole derivatives as efflux pump inhibitors ABCB11, ABCB1, ABCG2 CYP3A4 175/4885HTT 3888/4885SMN1; SMN2 4885/4885

“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.