SCHEMBL3764644

SCHEMBL3764644

O=C(Cl)OCc1cccc(F)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.61
HCAR2 Q8TDS4 1/20 0.60
MMP1 P03956 1/20 0.56
MMP2 P08253 1/20 0.56
MMP9 P14780 1/20 0.56
MMP12 P39900 1/20 0.56
IDO1 P14902 2/20 0.55
AGXT P21549 2/20 0.55
NR4A2 P43354 2/20 0.53
KDM4E B2RXH2 3/20 0.52
GAA P10253 1/20 0.52
STAT1 P42224 1/20 0.52
RAB9A P51151 1/20 0.52
MAOB P27338 7/20 0.51
PARP10 Q53GL7 1/20 0.51
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51

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
SCHEMBL1787511 0.85 HCAR2 (0.64) HCAR2MMP1MMP2MMP9MMP12
SCHEMBL28707037 0.85 HCAR2 (0.64) HCAR2MMP1MMP2MMP9MMP12
SCHEMBL1787512 0.84 HCAR2 (0.67) HCAR2MMP1MMP2MMP9MMP12
SCHEMBL6901937 0.82 HCAR2 (0.60) HCAR2MMP1MMP2MMP9MMP12
SCHEMBL13034121 0.82 ALDH1A1 (0.61) ALDH1A1HCAR2MMP1MMP2MMP9
SCHEMBL5049642 0.82 HCAR2 (0.60) HCAR2MMP1MMP2MMP9MMP12
SCHEMBL29747227 0.82 HCAR2 (0.60) HCAR2MMP1MMP2MMP9MMP12
SCHEMBL137602 0.81 ALDH1A1 (0.53) ALDH1A1HCAR2MMP1MMP2MMP9
SCHEMBL28707039 0.81 HCAR2 (0.63) HCAR2MMP1MMP2MMP9MMP12
SCHEMBL134801 0.80 ALDH1A1 (0.63) ALDH1A1HCAR2MMP1MMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2981264-B1 INHIBITORS OF BRUTON'S TYROSINE KINASE HOFFMANN LA ROCHE (CH) 2018-04-25 EP disclosed
US-9617260-B2 Inhibitors of bruton's tyrosine kinase HOFFMANN-LA ROCHE INC. (US) 2017-04-11 US disclosed
US-20160280706-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2016-09-29 US disclosed
EP-2981264-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-02-10 EP disclosed
WO-2014161799-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-09 WO disclosed
US-7851473-B2 Amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-12-14 US disclosed
US-20080312226-A1 Amide Compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-18 US disclosed
EP-1813606-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2007-08-01 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 (2 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-20080312226-A1 Amide Compound FAAH, FAAH2, CNR2 ALDH1A1 353/4885HCAR2 33/4885MMP1 1319/4885
US-20160280706-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE BTK, SYK, LYN ALDH1A1 3540/4885HCAR2 4261/4885MMP1 1298/4885

“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.