SCHEMBL20495072

SCHEMBL20495072

NCCCC(N)CNC(=O)c1nc2ccc(-c3ccc(F)c(F)c3)cc2n1Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ S1PR3 Q99500 7/20 0.42

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
SCHEMBL20495070 1.00 S1PR3 (0.42) S1PR3
SCHEMBL20494825 0.93 S1PR3 (0.39) S1PR3
SCHEMBL20494828 0.93 S1PR3 (0.39) S1PR3
SCHEMBL21973633 0.93 S1PR3 (0.41) S1PR3
Hydrochloric Acid SCHEMBL20495159 0.92 S1PR3 (0.40) S1PR3
Hydrochloric Acid SCHEMBL20495157 0.92 S1PR3 (0.41) S1PR3
SCHEMBL20495074 0.89 RORC (0.37) S1PR3
SCHEMBL20495075 0.89 RORC (0.37) S1PR3
SCHEMBL20495176 0.87 PPARG (0.46) —
SCHEMBL20495175 0.87 PPARG (0.46) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11180459-B2 Bacterial efflux pump inhibitors RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-11-23 — — US disclosed
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERISTY OF NEW JERSEY (US) 2020-05-07 — — US disclosed
WO-2018165612-A1 BACTERIAL EFFLUX PUMP INHIBITORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2018-09-13 — — 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 (2 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 S1PR3 4345/4885
US-20200140393-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 S1PR3 4345/4885

“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.

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