SCHEMBL18089666

SCHEMBL18089666

O=C(Cc1cccs1)NC1CB(O)Oc2c(C(=O)O)cccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ PKM P14618 3/20 0.40
▸ POLB P06746 6/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ ESR2 Q92731 2/20 0.40
▸ SIGMAR1 Q99720 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ MCL1 Q07820 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ MAPK8 P45983 1/20 0.37

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
SCHEMBL19886702 0.91 POLB (0.42) SMN1; SMN2PKMPOLBALDH1A1SIGMAR1
SCHEMBL21157702 0.82 CYP2C19 (0.37) SMN1; SMN2PKMPOLBKMT2ARAB9A
SCHEMBL18089423 0.81 ALDH1A1 (0.34) POLBALDH1A1KDM4EHSD17B10
SCHEMBL18089740 0.81 ALDH1A1 (0.34) POLBALDH1A1KDM4EHSD17B10
SCHEMBL18089741 0.77 LMNA (0.33) POLBALDH1A1KDM4E
SCHEMBL15868268 0.74 SIGMAR1 (0.40) SMN1; SMN2PKMPOLBALDH1A1SIGMAR1
SCHEMBL14751665 0.73 SIGMAR1 (0.39) SMN1; SMN2PKMPOLBALDH1A1SIGMAR1
SCHEMBL18089660 0.72 TP53 (0.36) PKMHSD17B10
SCHEMBL21497101 0.70 CYP2C9 (0.34) ALDH1A1KDM4EHSD17B10CYP2C9
SCHEMBL22474786 0.69 HPGD (0.40) SMN1; SMN2PKMPOLBALDH1A1SIGMAR1

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 SMN1; SMN2 836/4885PKM 3196/4885POLB 1563/4885
US-10618918-B2 Substituted boronic acids as antimicrobials ABCB11, BRS3, SLC10A2 SMN1; SMN2 2633/4885PKM 4374/4885POLB 898/4885
US-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT BTD, BCL6B, BPGM SMN1; SMN2 1008/4885PKM 3755/4885POLB 1525/4885

“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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