SCHEMBL9975414

SCHEMBL9975414

CC(=O)OC[C@H]1O[C@@H](n2c(Br)c(C#N)c3cc(Cl)c(Cl)cc32)C(O)C1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC15A1 P46059 1/20 0.43
▸ GALR3 O60755 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ CYP3A4 P08684 6/20 0.33
▸ CYP2C19 P33261 5/20 0.33
▸ CYP2D6 P10635 4/20 0.33
▸ 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
▸ ALDH1A1 P00352 5/20 0.32
▸ MAPT P10636 5/20 0.32
▸ TP53 P04637 3/20 0.32
▸ CYP2C9 P11712 3/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HSPA2 P54652 1/20 0.32

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
SCHEMBL1626753 1.00 SLC15A1 (0.43) SLC15A1GALR3HDAC6CYP3A4CYP2C19
SCHEMBL9975391 0.90 SLC15A1 (0.41) SLC15A1GALR3HDAC6CYP3A4CYP2C19
SCHEMBL1625067 0.90 SLC15A1 (0.41) SLC15A1GALR3HDAC6CYP3A4CYP2C19
SCHEMBL1626318 0.84 SLC15A1 (0.45) SLC15A1HDAC6P2RY2CCNT1CCNK
SCHEMBL9975353 0.84 SLC15A1 (0.45) SLC15A1HDAC6P2RY2CCNT1CCNK
SCHEMBL12750771 0.84 ALDH1A1 (0.33) SLC15A1GALR3CYP3A4CYP2C19CYP2D6
SCHEMBL1626133 0.84 ALDH1A1 (0.33) SLC15A1GALR3CYP3A4CYP2C19CYP2D6
SCHEMBL12750769 0.81 SLC15A1 (0.43) SLC15A1HDAC6P2RY2CCNT1CCNK
SCHEMBL1625280 0.80 SLC15A1 (0.42) SLC15A1GALR3HDAC6CYP3A4CYP2C19
SCHEMBL9975370 0.78 SLC15A1 (0.41) SLC15A1HDAC6CYP3A4CYP2C19CYP2D6

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 7 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-20080146517-A1 Indole Antiviral Compositions And Methods THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-06-19 — — 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 (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-20090281052-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS SLC15A1 2915/4885GALR3 442/4885HDAC6 536/4885
US-20120270827-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS SLC15A1 2915/4885GALR3 442/4885HDAC6 536/4885
US-20080146517-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS SLC15A1 2915/4885GALR3 442/4885HDAC6 536/4885
US-20110178038-A1 Indole Antiviral Compositions And Methods IDO1, IDO2, MAVS SLC15A1 2915/4885GALR3 442/4885HDAC6 536/4885

“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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