SCHEMBL1626133

SCHEMBL1626133

CC(=O)OC[C@H]1O[C@@H](n2c(Br)c(C#N)c3cc(Cl)c(Cl)cc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ GALR3 O60755 1/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ SLC15A1 P46059 1/20 0.32
▸ CYP3A4 P08684 2/20 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
SCHEMBL12750771 1.00 ALDH1A1 (0.33) ALDH1A1GALR3CYP2C19CYP2D6SLC15A1
SCHEMBL1626588 0.92 GALR3 (0.36) ALDH1A1GALR3CYP2C19CYP2D6CYP3A4
SCHEMBL9975389 0.92 GALR3 (0.36) ALDH1A1GALR3CYP2C19CYP2D6CYP3A4
SCHEMBL1624778 0.86 ALDH1A1 (0.33) ALDH1A1SLC15A1
SCHEMBL9975351 0.86 ALDH1A1 (0.33) ALDH1A1SLC15A1
SCHEMBL9975414 0.84 SLC15A1 (0.43) ALDH1A1GALR3CYP2C19CYP2D6SLC15A1
SCHEMBL1626753 0.84 SLC15A1 (0.43) ALDH1A1GALR3CYP2C19CYP2D6SLC15A1
SCHEMBL9975384 0.81 ALDH1A1 (0.35) ALDH1A1CYP2C19CYP2D6SLC15A1
SCHEMBL1626287 0.81 ALDH1A1 (0.35) ALDH1A1CYP2C19CYP2D6SLC15A1
SCHEMBL9975348 0.81 SLC15A1 (0.36) ALDH1A1CYP2C19CYP2D6SLC15A1

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-20120270827-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-25 — — US disclosed
US-8202844-B2 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-06-19 — — US disclosed
US-20110178038-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-21 — — US disclosed
US-7928080-B2 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-04-19 — — US disclosed
US-7625871-B2 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-12-01 — — US disclosed
US-20090281052-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-11-12 — — US disclosed
US-7419963-B2 Indole antiviral compositions and methods NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-09-02 — — US disclosed
US-20080146517-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-06-19 — — US disclosed
US-20050143329-A1 Indole antiviral compositions and methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2005-06-30 — — US 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 (5 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-20090281052-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885GALR3 442/4885CYP2C19 734/4885
US-20120270827-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885GALR3 442/4885CYP2C19 734/4885
US-20080146517-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885GALR3 442/4885CYP2C19 734/4885
US-20050143329-A1 Indole antiviral compositions and methods IDO1, IDO2, MAVS ALDH1A1 1330/4885GALR3 442/4885CYP2C19 734/4885
US-20110178038-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS ALDH1A1 1330/4885GALR3 442/4885CYP2C19 734/4885

“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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