SCHEMBL248427

SCHEMBL248427

CCCCCCCCCNC(CO)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 11/20 0.44
NOD1 Q9Y239 1/20 0.43
NAAA Q02083 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TLR2 O60603 1/20 0.40
CASP2 P42575 1/20 0.40
RRM1 P23921 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38

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
SCHEMBL248429 1.00 EPHX1 (0.44) EPHX1NOD1NAAAKDM4EALDH1A1
SCHEMBL8055730 0.98 EPHX1 (0.41) EPHX1NOD1NAAAKDM4EALDH1A1
SCHEMBL9802585 0.98 EPHX1 (0.41) EPHX1NOD1NAAAKDM4EALDH1A1
Phosphoric Acid SCHEMBL8213494 0.93 ANPEP (0.44) EPHX1NOD1NAAAKDM4EALDH1A1
Oxalic Acid SCHEMBL9307684 0.93 ALOX15 (0.44) EPHX1NOD1NAAAKDM4EALDH1A1
SCHEMBL26225624 0.85 NOD1 (0.46) EPHX1NOD1CASP2RRM1DPP7
SCHEMBL7342396 0.85 CA1 (0.44) EPHX1NOD1CASP2RRM1DPP7
SCHEMBL14367745 0.85 CA1 (0.44) EPHX1NOD1CASP2RRM1DPP7
SCHEMBL21206958 0.84 TGFBR1 (0.36) KDM4ETLR2
SCHEMBL23831532 0.84 EPHX1 (0.42) EPHX1NOD1CASP2RRM1DPP7

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 EPHX1 46/4885NOD1 1780/4885NAAA 63/4885
US-20140187596-A1 FATTY ACID AMIDE HYDROLASE INHIHIBITORS FOR TREATING PAIN FAAH, FAAH2, HRH2 EPHX1 46/4885NOD1 1780/4885NAAA 63/4885
US-20120077857-A1 INHIBITION OF INFLAMMATION BYSIMULTANEOUS BLOCKADE OF MULTIPLE PROSTANOID RECEPTORS LTB4R2, LTB4R, PTGIR EPHX1 298/4885NOD1 728/4885NAAA 1736/4885

“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.