SCHEMBL3461964

SCHEMBL3461964

CCCCOC(=O)c1ncccc1B(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
TSHR P16473 7/20 0.50
TDP1 Q9NUW8 2/20 0.50
LMNA P02545 6/20 0.49
KDM4E B2RXH2 1/20 0.46
KDM4A O75164 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
MAPK1 P28482 3/20 0.45
CYP3A4 P08684 3/20 0.45
TP53 P04637 1/20 0.45
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 3/20 0.44
ESR1 P03372 1/20 0.44
CYP2D6 P10635 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 1/20 0.44

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
SCHEMBL8405883 0.82 TSHR (0.66) L3MBTL1TSHRTDP1LMNAKDM4E
SCHEMBL27611622 0.81 ALDH1A1 (0.60) L3MBTL1TSHRTDP1LMNAKDM4E
SCHEMBL9440298 0.77 LMNA (0.57) L3MBTL1TSHRTDP1LMNAKDM4E
SCHEMBL1921366 0.77 GAA (0.51) L3MBTL1TSHRLMNAKDM4EMAPK1
SCHEMBL4437878 0.77 L3MBTL1 (0.58) L3MBTL1TSHRTDP1KDM4EKDM4C
SCHEMBL2359225 0.76 TSHR (0.75) L3MBTL1TSHRTDP1LMNAKDM4E
SCHEMBL12138310 0.75 CYP2D6 (0.42) L3MBTL1TSHRTDP1LMNACYP3A4
SCHEMBL28891861 0.75 TSHR (0.58) L3MBTL1TSHRTDP1LMNAKDM4E
SCHEMBL162712 0.74 LMNA (0.55) L3MBTL1TSHRTDP1LMNAMAPK1
SCHEMBL163568 0.74 TSHR (0.66) L3MBTL1TSHRTDP1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2223926-B1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME EISAI R&D MAN CO LTD (JP) 2014-02-12 EP disclosed
US-8513287-B2 Heterocyclic ring and phosphonoxymethyl group substituted pyridine derivatives and antifungal agent containing same EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-08-20 US disclosed
EP-2223926-A1 PYRIDINE DERIVATIVE SUBSTITUTED WITH HETEROCYCLE AND PHOSPHONOXYMETHYL GROUP AND ANTIFUNGAL AGENT CONTAINING THE SAME Eisai R&D Management Co., Ltd. (JP) 2010-09-01 EP disclosed
US-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME EISAI R&D MANAGEMENT CO. LTD. (JP) 2009-09-17 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 (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-20090233883-A1 HETEROCYCLIC RING AND PHOSPHONOXYMETHYL GROUP SUBSTITUTED PYRIDINE DERIVATIVES AND ANTIFUNGAL AGENT CONTAINING SAME MTOR, ERG28, MTMR1 L3MBTL1 4801/4885TSHR 4842/4885TDP1 2522/4885

“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.