SCHEMBL17385243

SCHEMBL17385243

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

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.84
PLA2G2A P14555 1/20 0.83
AKR1C3 P42330 8/20 0.81
AKR1C2 P52895 6/20 0.81
LMNA P02545 2/20 0.69
CYP1A2 P05177 2/20 0.69
CYP2D6 P10635 2/20 0.69
CYP2C9 P11712 2/20 0.69
HIF1A Q16665 2/20 0.69
NPSR1 Q6W5P4 2/20 0.69
TSHR P16473 1/20 0.69
NFKB1 P19838 1/20 0.69
MAPT P10636 2/20 0.68
AKR1C4 P17516 2/20 0.68
AKR1C1 Q04828 2/20 0.68
KDM4E B2RXH2 1/20 0.68
MEN1 O00255 1/20 0.68
PTGES O14684 1/20 0.68
ABCC3 O15438 1/20 0.68
ABCC4 O15439 1/20 0.68

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
SCHEMBL2238173 0.91 PTGS2 (1.00) PTGS2PLA2G2AAKR1C3AKR1C2LMNA
SCHEMBL2600801 0.90 AKR1C3 (1.00) PTGS2PLA2G2AAKR1C3AKR1C2LMNA
SCHEMBL15774085 0.90 AKR1C3 (0.83) PTGS2PLA2G2AAKR1C3AKR1C2LMNA
SCHEMBL6424077 0.89 PTGS2 (0.77) PTGS2PLA2G2AAKR1C3AKR1C2LMNA
SCHEMBL16656482 0.89 AKR1C3 (1.00) PTGS2AKR1C3AKR1C2LMNACYP1A2
SCHEMBL5554764 0.88 PTGS2 (0.76) PTGS2PLA2G2AAKR1C3AKR1C2LMNA
SCHEMBL15215990 0.87 AKR1C3 (0.79) PTGS2PLA2G2AAKR1C3AKR1C2LMNA
SCHEMBL16254106 0.87 AKR1C3 (0.78) PTGS2PLA2G2AAKR1C3AKR1C2LMNA
SCHEMBL17208137 0.87 AKR1C3 (0.78) PTGS2PLA2G2AAKR1C3AKR1C2LMNA
SCHEMBL8645594 0.85 AKR1C3 (1.00) PTGS2PLA2G2AAKR1C3AKR1C2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4272761-A2 COMPOSITIONS FOR TREATING OPHTHALMIC CONDITIONS Medicon Pharmaceuticals, Inc. (US) 2023-11-08 EP disclosed
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
US-9850183-B2 Conjugates derived from non-steroidal anti-inflammatory drugs and methods of use thereof in imaging Reiley Pharmaceuticals, Inc. (US) 2017-12-26 US disclosed
WO-2015200187-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. (US) 2015-12-30 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 (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 6/4885PLA2G2A 127/4885AKR1C3 568/4885
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS PTGS2 6/4885PLA2G2A 127/4885AKR1C3 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.