SCHEMBL18089660

SCHEMBL18089660

Nc1nnc(C(=O)NC2CB(O)Oc3c(C(=O)O)cccc32)s1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ RIPK1 Q13546 1/20 0.32
▸ PKM P14618 1/20 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
SCHEMBL18089735 0.78 ALDH1A1 (0.40) TP53ALOX15HSD17B10PKM
SCHEMBL15861604 0.76 TP53 (0.36) TP53ALOX15HSD17B10
SCHEMBL15861605 0.76 TP53 (0.36) TP53ALOX15HSD17B10
SCHEMBL18089666 0.72 SMN1; SMN2 (0.40) HSD17B10PKM
SCHEMBL18089740 0.72 ALDH1A1 (0.34) HSD17B10
SCHEMBL18089423 0.72 ALDH1A1 (0.34) HSD17B10
SCHEMBL18089741 0.69 LMNA (0.33) —
SCHEMBL19886700 0.69 ALDH1A1 (0.37) TP53ALOX15HSD17B10PKM
SCHEMBL18089736 0.67 CYP2C9 (0.33) ALOX15HSD17B10PKM
SCHEMBL21497101 0.66 CYP2C9 (0.34) ALOX15HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10618918-B2 Substituted boronic acids as antimicrobials QPEX BIOPHARMA, INC. (US) 2020-04-14 — — US disclosed
US-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT REMPEX PHARMACEUTICALS, INC. 2019-07-11 — — US disclosed
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
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 (3 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 TP53 855/4885ALOX15 2506/4885HSD17B10 3364/4885
US-10618918-B2 Substituted boronic acids as antimicrobials ABCB11, BRS3, SLC10A2 TP53 4109/4885ALOX15 2229/4885HSD17B10 3182/4885
US-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT BTD, BCL6B, BPGM TP53 1696/4885ALOX15 3599/4885HSD17B10 3448/4885

“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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