SCHEMBL20259394

SCHEMBL20259394

COc1ccc2c(c1)c(CC(=O)NN)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.83
PTGS1 P23219 3/20 0.83
AKR1C3 P42330 3/20 0.79
CNR2 P34972 1/20 0.79
MAPT P10636 4/20 0.79
KMT2A Q03164 2/20 0.79
NPSR1 Q6W5P4 2/20 0.79
AKR1C2 P52895 2/20 0.77
KDM4E B2RXH2 1/20 0.77
MEN1 O00255 1/20 0.77
PTGES O14684 1/20 0.77
ABCC3 O15438 1/20 0.77
ABCC4 O15439 1/20 0.77
ABCB11 O95342 1/20 0.77
MT-CO2 P00403 1/20 0.77
LMNA P02545 1/20 0.77
ALB P02768 1/20 0.77
CYP1A2 P05177 1/20 0.77
ABCB1 P08183 1/20 0.77
ALOX5 P09917 1/20 0.77

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
SCHEMBL9657228 0.92 PTGS1 (0.85) PTGS2PTGS1AKR1C3CNR2MAPT
Oxametacin SCHEMBL24552 0.91 PTGS1 (1.00) PTGS2PTGS1AKR1C3CNR2MAPT
SCHEMBL14405006 0.91 PTGS2 (1.00) PTGS2PTGS1AKR1C3CNR2MAPT
Oxametacin SCHEMBL29378857 0.91 PTGS1 (1.00) PTGS2PTGS1AKR1C3CNR2MAPT
SCHEMBL5809872 0.90 PTGS1 (1.00) PTGS2PTGS1AKR1C3CNR2MAPT
SCHEMBL16752454 0.89 PTGS2 (0.84) PTGS2PTGS1AKR1C3CNR2MAPT
SCHEMBL5112013 0.89 PTGS2 (0.84) PTGS2PTGS1
SCHEMBL5107049 0.89 PTGS2 (0.82) PTGS2PTGS1AKR1C3CNR2MAPT
SCHEMBL30426824 0.89 PTGS2 (1.00) PTGS2PTGS1AKR1C3CNR2MAPT
SCHEMBL2238173 0.89 PTGS2 (1.00) PTGS2PTGS1AKR1C3CNR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2019-06-06 US disclosed
US-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2018-06-14 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 (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-20180162784-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS PTGS2 6/4885PTGS1 5/4885AKR1C3 568/4885
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS PTGS2 6/4885PTGS1 5/4885AKR1C3 568/4885

“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.