SCHEMBL2400910

SCHEMBL2400910

CC1(C)OB(c2ccc(Br)s2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.36
LIPG Q9Y5X9 12/20 0.36
P2RX7 Q99572 1/20 0.32
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
MAPK1 P28482 1/20 0.31
F11 P03951 1/20 0.30
USP30 Q70CQ3 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
SCHEMBL4263307 0.89 LPL (0.34) LPLLIPG
SCHEMBL120211 0.85 LPL (0.42) LPLLIPGP2RX7CA1CA2
SCHEMBL390494 0.79 LPL (0.40) LPLLIPGP2RX7CA1CA2
SCHEMBL30846 0.78 LPL (0.37) LPLLIPGP2RX7CA1CA2
SCHEMBL5892452 0.76 LPL (0.36) LPLLIPGP2RX7CA1CA2
SCHEMBL14854211 0.76 LPL (0.36) LPLLIPGP2RX7CA1CA2
SCHEMBL28587337 0.76 LPL (0.36) LPLLIPGP2RX7CA1CA2
SCHEMBL16001682 0.76 LPL (0.36) LPLLIPGP2RX7CA1CA2
SCHEMBL14332445 0.76 LPL (0.43) LPLLIPGP2RX7CA1CA2
SCHEMBL28580669 0.74 LPL (0.41) LPLLIPGP2RX7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116253755-A Synthesis method of diaryl borate compound 湖南大学 2023-06-13 CN claimed
CN-109942572-B V-type organic dye sensitizer and preparation method and application thereof 南京邮电大学 2021-08-10 CN claimed
CN-116253755-A Synthesis method of diaryl borate compound 湖南大学 2023-06-13 CN disclosed
CN-109942572-B V-type organic dye sensitizer and preparation method and application thereof 南京邮电大学 2021-08-10 CN disclosed
EP-2545058-B1 TETRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS INHIBITORS OF HISTAMINE RECEPTORS KALYPSYS INC (US) 2016-08-24 EP disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
EP-2545058-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2013-01-16 EP disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
WO-2011112766-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 WO disclosed
EP-2110398-A1 METHOD FOR PRODUCING STRUCTURE WHEREIN AROMATIC POLYMER IS BONDED TO BASE, STRUCTURE HAVING AROMATIC POLYMER CHAIN BONDED TO CONDUCTIVE BASE, AND ELECTRONIC DEVICE COMPRISING THE STRUCTURE Sumitomo Chemical Company, Limited (JP) 2009-10-21 EP 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 (1 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-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 LPL 4837/4885LIPG 3888/4885P2RX7 96/4885

“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.