SCHEMBL18089736

SCHEMBL18089736

CO[C@@H]1CB(O)Oc2c(C(=O)O)cccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.33
▸ BRD4 O60885 3/20 0.33
▸ HTT P42858 4/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ KDM4E B2RXH2 4/20 0.31
▸ HSD17B10 Q99714 4/20 0.31
▸ HPGD P15428 3/20 0.31
▸ ALDH1A1 P00352 4/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ NR4A1 P22736 1/20 0.31
▸ APEX1 P27695 1/20 0.31
▸ PTPN7 P35236 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ MCL1 Q07820 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
SCHEMBL19886701 0.89 KDM4E (0.35) BRD4KMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL21497101 0.77 CYP2C9 (0.34) CYP2C9BRD4CDC25BKDM4EHSD17B10
SCHEMBL18089423 0.71 ALDH1A1 (0.34) BRD4MAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL18089740 0.71 ALDH1A1 (0.34) BRD4MAPK1KDM4EHSD17B10ALDH1A1
SCHEMBL21503796 0.70 MAPT (0.33) CYP2C9BRD4HTTCDC25BKDM4E
SCHEMBL23655023 0.68 CAT (0.63) CYP2C9BRD4CDC25BKDM4EHSD17B10
SCHEMBL21012433 0.68 CAT (0.63) CYP2C9BRD4CDC25BKDM4EHSD17B10
SCHEMBL21012493 0.68 CAT (0.63) CYP2C9BRD4CDC25BKDM4EHSD17B10
SCHEMBL21012435 0.68 CAT (0.63) CYP2C9BRD4CDC25BKDM4EHSD17B10
SCHEMBL15862640 0.68 PARP1 (0.39) HTTKDM4EHSD17B10HPGDALDH1A1

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 CYP2C9 2400/4885BRD4 806/4885HTT 3103/4885
US-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT BTD, BCL6B, BPGM CYP2C9 2757/4885BRD4 573/4885HTT 2638/4885

“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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