SCHEMBL21012496

SCHEMBL21012496

O=C(O)c1c(OCCF)ccc2c1OB(O)C1CC21

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAT P04040 1/20 0.63
▸ HTR2C P28335 14/20 0.36
▸ HTR2A P28223 11/20 0.36
▸ HTR2B P41595 6/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ FPR2 P25090 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
SCHEMBL21012534 0.82 CAT (0.67) CAT
SCHEMBL21012590 0.82 CAT (0.67) CAT
SCHEMBL21012609 0.82 CAT (0.67) CAT
SCHEMBL21012589 0.79 CAT (0.69) CAT
Xeruborbactam SCHEMBL23655292 0.78 CAT (1.00) CAT
Xeruborbactam SCHEMBL22854594 0.78 CAT (1.00) CAT
Xeruborbactam SCHEMBL21012432 0.78 CAT (1.00) CAT
Xeruborbactam SCHEMBL21012430 0.78 CAT (1.00) CAT
Xeruborbactam SCHEMBL21012607 0.78 CAT (1.00) CAT
SCHEMBL24995934 0.77 CAT (0.60) CAT

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-11180512-B2 Boronic acid derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2021-11-23 — — US disclosed
EP-3478693-B1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF QPEX BIOPHARMA INC (US) 2021-07-21 — — EP disclosed
US-20200181177-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF THE MEDICINES COMPANY (SAN DIEGO), LLC 2020-06-11 — — US disclosed
US-10570159-B2 Boronic acid derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2020-02-25 — — US disclosed
US-20190233443-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF REMPEX PHARMACEUTICALS, INC. 2019-08-01 — — US disclosed
US-10294249-B2 Boronic acid derivatives and therapeutic uses thereof QPEX BIOPHARMA, INC. (US) 2019-05-21 — — US 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 (5 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-10294249-B2 Boronic acid derivatives and therapeutic uses thereof BTD, BLK, BCL6B CAT 106/4885HTR2C 4865/4885HTR2A 4563/4885
US-20200181177-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BTD, BLK, BCL6B CAT 106/4885HTR2C 4865/4885HTR2A 4563/4885
US-10570159-B2 Boronic acid derivatives and therapeutic uses thereof BTD, BLK, BCL6B CAT 106/4885HTR2C 4865/4885HTR2A 4563/4885
US-11180512-B2 Boronic acid derivatives and therapeutic uses thereof BTD, BLK, BCL6B CAT 106/4885HTR2C 4865/4885HTR2A 4563/4885
US-20190233443-A1 BORONIC ACID DERIVATIVES AND THERAPEUTIC USES THEREOF BTD, BLK, BCL6B CAT 106/4885HTR2C 4865/4885HTR2A 4563/4885

“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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