SCHEMBL250372

SCHEMBL250372

O=C(O)[C@H]1C2CCC(O2)[C@@H]1Cc1cc(F)ccc1CO

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
TFPI2 P48307 5/20 0.45
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GMNN O75496 1/20 0.39
PMP22 Q01453 1/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
BLM P54132 1/20 0.35
KMT2A Q03164 1/20 0.35
PPP1CA P62136 1/20 0.35
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL250371 1.00 LMNA (0.45) LMNATFPI2L3MBTL1TSHRKDM4E
SCHEMBL250295 0.83 LMNA (0.43) LMNATFPI2L3MBTL1TSHRKDM4E
SCHEMBL250296 0.83 LMNA (0.43) LMNATFPI2L3MBTL1TSHRKDM4E
SCHEMBL250155 0.82 LMNA (0.41) LMNATFPI2L3MBTL1KDM4EGAA
SCHEMBL14415447 0.78 TBXA2R (0.41) LMNATFPI2
SCHEMBL249464 0.76 LMNA (0.40) LMNATFPI2L3MBTL1KDM4ETP53
SCHEMBL249465 0.76 LMNA (0.40) LMNATFPI2L3MBTL1KDM4ETP53
SCHEMBL14415445 0.72 SLC6A3 (0.35) LMNAGAA
SCHEMBL14415439 0.70 TBXA2R (0.36)
SCHEMBL5385156 0.70 TBXA2R (0.36)

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-2588196-B1 INHIBITION OF INFLAMMATION BYSIMULTANEOUS BLOCKADE OF MULTIPLE PROSTANOID RECEPTORS ALLERGAN INC (US) 2018-01-24 EP disclosed
US-8901159-B2 Inhibition of inflammation by simultaneous blockade of multiple prostanoid receptors ALLERGAN, INC. (US) 2014-12-02 US disclosed
US-20140187596-A1 FATTY ACID AMIDE HYDROLASE INHIHIBITORS FOR TREATING PAIN ALLERGAN, INC. (US) 2014-07-03 US disclosed
EP-2588196-A2 INHIBITION OF INFLAMMATION BYSIMULTANEOUS BLOCKADE OF MULTIPLE PROSTANOID RECEPTORS Allergan, Inc. (US) 2013-05-08 EP disclosed
US-20120329843-A1 FATTY ACID AMIDE HYDROLASE INHIHIBITORS FOR TREATING PAIN ALLERGAN, INC. 2012-12-27 US disclosed
WO-2012162416-A1 FATTY ACID AMIDE HYDROLASE INHIBITORS FOR TREATING PAIN ALLERGAN, INC. (US) 2012-11-29 WO disclosed
US-20120077857-A1 INHIBITION OF INFLAMMATION BYSIMULTANEOUS BLOCKADE OF MULTIPLE PROSTANOID RECEPTORS ALLERGAN, INC. (US) 2012-03-29 US disclosed
WO-2012003477-A2 INHIBITION OF INFLAMMATION BYSIMULTANEOUS BLOCKADE OF MULTIPLE PROSTANOID RECEPTORS ALLERGAN, INC. (US) 2012-01-05 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-20120329843-A1 FATTY ACID AMIDE HYDROLASE INHIHIBITORS FOR TREATING PAIN FAAH, FAAH2, HRH2 LMNA 3940/4885TFPI2 1274/4885L3MBTL1 3411/4885
US-20140187596-A1 FATTY ACID AMIDE HYDROLASE INHIHIBITORS FOR TREATING PAIN FAAH, FAAH2, HRH2 LMNA 3940/4885TFPI2 1274/4885L3MBTL1 3411/4885
US-20120077857-A1 INHIBITION OF INFLAMMATION BYSIMULTANEOUS BLOCKADE OF MULTIPLE PROSTANOID RECEPTORS LTB4R2, LTB4R, PTGIR LMNA 1321/4885TFPI2 737/4885L3MBTL1 2936/4885

“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.