SCHEMBL1626318

SCHEMBL1626318

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.35
▸ P2RY2 P41231 1/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ CCNK O75909 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ CCNH P51946 1/20 0.32
▸ MNAT1 P51948 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ SLC5A1 P13866 4/20 0.31
▸ SLC5A2 P31639 4/20 0.31
▸ LMNA P02545 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ TP53 P04637 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ HSPA5 P11021 1/20 0.31
▸ ATG7 O95352 1/20 0.30
▸ THRB P10828 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
SCHEMBL9975353 1.00 SLC15A1 (0.45) SLC15A1HDAC6P2RY2CCNT1CCNK
SCHEMBL9975370 0.90 SLC15A1 (0.41) SLC15A1HDAC6P2RY2SLC5A1SLC5A2
SCHEMBL1624714 0.90 SLC15A1 (0.41) SLC15A1HDAC6P2RY2SLC5A1SLC5A2
SCHEMBL14074821 0.89 SLC15A1 (0.40) SLC15A1HDAC6P2RY2SLC5A1SLC5A2
SCHEMBL9973804 0.89 SLC15A1 (0.40) SLC15A1HDAC6P2RY2SLC5A1SLC5A2
SCHEMBL9975352 0.84 HDAC6 (0.45) HDAC6SLC5A1SLC5A2LMNAALDH1A1
SCHEMBL1626754 0.84 HDAC6 (0.45) HDAC6SLC5A1SLC5A2LMNAALDH1A1
SCHEMBL1626753 0.84 SLC15A1 (0.43) SLC15A1HDAC6P2RY2CCNT1CCNK
SCHEMBL9975414 0.84 SLC15A1 (0.43) SLC15A1HDAC6P2RY2CCNT1CCNK
SCHEMBL1624778 0.84 ALDH1A1 (0.33) SLC15A1ALDH1A1

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 SLC15A1 2915/4885HDAC6 536/4885P2RY2 2509/4885
US-20120270827-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS SLC15A1 2915/4885HDAC6 536/4885P2RY2 2509/4885
US-20080146517-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS SLC15A1 2915/4885HDAC6 536/4885P2RY2 2509/4885
US-20050143329-A1 Indole antiviral compositions and methods IDO1, IDO2, MAVS SLC15A1 2915/4885HDAC6 536/4885P2RY2 2509/4885
US-20110178038-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS SLC15A1 2915/4885HDAC6 536/4885P2RY2 2509/4885

“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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