SCHEMBL18089423

SCHEMBL18089423

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MAPK1 P28482 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ BRD4 O60885 3/20 0.31
▸ P2RX7 Q99572 1/20 0.31
▸ HSD17B10 Q99714 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
SCHEMBL18089740 1.00 ALDH1A1 (0.34) ALDH1A1LMNAKDM4EPOLBMAPK1
SCHEMBL19886698 0.91 P2RX7 (0.36) POLBP2RX7HSD17B10
SCHEMBL19886696 0.91 P2RX7 (0.36) POLBP2RX7HSD17B10
SCHEMBL18089741 0.85 LMNA (0.33) ALDH1A1LMNAKDM4EPOLB
SCHEMBL19886693 0.83 CAT (0.32) HSD17B10
SCHEMBL21158427 0.83 POLB (0.31) POLB
SCHEMBL18089738 0.83 CAT (0.46) —
SCHEMBL18089666 0.81 SMN1; SMN2 (0.40) ALDH1A1KDM4EPOLBHSD17B10
SCHEMBL19886695 0.78 P2RX7 (0.34) P2RX7
SCHEMBL19886697 0.78 FPR2 (0.33) —

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 ALDH1A1 1999/4885LMNA 1579/4885KDM4E 4553/4885
US-10618918-B2 Substituted boronic acids as antimicrobials ABCB11, BRS3, SLC10A2 ALDH1A1 3004/4885LMNA 1508/4885KDM4E 4653/4885
US-20190211037-A1 BORONIC ACID DERIVATIVES AND THEIR THERAPEUTIC USES IN ANTIMICROBIAL TREATMENT BTD, BCL6B, BPGM ALDH1A1 2886/4885LMNA 1733/4885KDM4E 4430/4885

“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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