SCHEMBL18089735

SCHEMBL18089735

Nc1nnc(S[C@@H]2CB(O)Oc3c(C(=O)O)cccc32)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 2/20 0.35
▸ PKM P14618 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 5/20 0.33
▸ GAA P10253 1/20 0.32
▸ TP53 P04637 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ GLS O94925 1/20 0.30
▸ GLA P06280 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
SCHEMBL19886700 0.91 ALDH1A1 (0.37) ALDH1A1MAPTHPGDHTTHSD17B10
SCHEMBL18089660 0.78 TP53 (0.36) HSD17B10PKMTP53ALOX15
SCHEMBL15862974 0.75 ALDH1A1 (0.38) ALDH1A1MAPTHPGDHTTHSD17B10
SCHEMBL15862977 0.75 ALDH1A1 (0.38) ALDH1A1MAPTHPGDHTTHSD17B10
SCHEMBL21497101 0.67 CYP2C9 (0.34) ALDH1A1HSD17B10ALOX15
SCHEMBL18089736 0.66 CYP2C9 (0.33) ALDH1A1HPGDHTTHSD17B10PKM
SCHEMBL15861745 0.66 PKM (0.49) ALDH1A1MAPTHPGDHSD17B10PKM
SCHEMBL15861749 0.66 PKM (0.49) ALDH1A1MAPTHPGDHSD17B10PKM
SCHEMBL18089423 0.65 ALDH1A1 (0.34) ALDH1A1HSD17B10POLB
SCHEMBL18089740 0.65 ALDH1A1 (0.34) ALDH1A1HSD17B10POLB

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-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT REMPEX PHARMACEUTICALS, INC. 2019-07-11 — — US disclosed
US-20180051041-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF THE MEDICINES COMPANY (SAN DIEGO), LLC 2018-02-22 — — US disclosed
WO-2016149393-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. (US) 2016-09-22 — — 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-20180051041-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BCL6B, BTD, BCL6 ALDH1A1 1999/4885MAPT 3247/4885HPGD 1511/4885
US-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT BTD, BCL6B, BPGM ALDH1A1 2886/4885MAPT 2616/4885HPGD 2745/4885

“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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