SCHEMBL2996680

SCHEMBL2996680

Cc1c(CC(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 7/20 1.00
PTGS2 P35354 7/20 1.00
AKR1C3 P42330 5/20 0.77
AKR1C2 P52895 5/20 0.77
ABCB1 P08183 3/20 0.74
GLO1 Q04760 2/20 0.74
HIF1A Q16665 2/20 0.74
KDM4E B2RXH2 1/20 0.74
MEN1 O00255 1/20 0.74
PTGES O14684 1/20 0.74
ABCC3 O15438 1/20 0.74
ABCC4 O15439 1/20 0.74
ABCB11 O95342 1/20 0.74
MT-CO2 P00403 1/20 0.74
LMNA P02545 1/20 0.74
ALB P02768 1/20 0.74
CYP1A2 P05177 1/20 0.74
ALOX5 P09917 1/20 0.74
ADORA3 P0DMS8 1/20 0.74
CXCL8 P10145 1/20 0.74

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
SCHEMBL13013628 0.91 PTGS2 (0.83) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL4055730 0.90 PTGS1 (0.82) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL5554262 0.89 PTGS2 (0.81) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL10549590 0.89 PTGS2 (0.80) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL2465162 0.89 PTGS1 (0.80) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL2002967 0.88 PTGS1 (0.79) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL5559037 0.88 PTGS2 (0.78) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL2997297 0.88 PTGS2 (0.79) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL5558584 0.88 PTGS1 (0.79) PTGS1PTGS2AKR1C3AKR1C2ABCB1
SCHEMBL5553913 0.87 PTGS2 (0.78) PTGS1PTGS2AKR1C3AKR1C2MAPT

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2022-01-20 US disclosed
US-20210230642-A1 HYDROXYLATION TECHNIQUES HYPHA DISCOVERY LTD. (GB) 2021-07-29 US disclosed
EP-3242688-B1 COX-2-TARGETING, PLATINUM-CONTAINING CONJUGATES AND THEIR USE IN THE TREATMENT OF TUMORS AND CANCERS REILEY PHARMACEUTICALS INC (US) 2020-01-29 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-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
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
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2015-12-31 US disclosed
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING Reiley Pharmaceuticals, Inc. 2015-12-31 US disclosed
US-20070161698-A1 Modulators of CRTH2 Activity MICROBIA, INC. 2007-07-12 US disclosed
US-20070161698-A1 Modulators of CRTH2 Activity MICROBIA, INC. 2007-07-12 US disclosed
US-7205329-B2 Modulators of CRTH2 activity MICROBIA, INC. (US) 2007-04-17 US disclosed
US-7205329-B2 Modulators of CRTH2 activity MICROBIA, INC. (US) 2007-04-17 US disclosed
WO-2007022501-A2 USEFUL INDOLE COMPOUNDS MICROBIA, INC. (US) 2007-02-22 WO disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP disclosed
WO-2005037227-A2 SELECTIVE COX-2 INHIBITORS MICROBIA, INC. (US) 2005-04-28 WO disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 US disclosed
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 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 (6 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 PTGS1 5/4885PTGS2 6/4885AKR1C3 568/4885
US-20220017432-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS PTGS1 5/4885PTGS2 6/4885AKR1C3 568/4885
US-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 PTGS1 6/4885PTGS2 3/4885AKR1C3 585/4885
US-20150374858-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS PTGS1 5/4885PTGS2 6/4885AKR1C3 568/4885
US-20070161698-A1 Modulators of CRTH2 Activity HRH2, HRH1, MRGPRX2 PTGS1 189/4885PTGS2 110/4885AKR1C3 3064/4885
US-20190169084-A1 CONJUGATES DERIVED FROM NON-STEROIDAL ANTI-INFLAMMATORY DRUGS AND METHODS OF USE THEREOF IN IMAGING PTGES3, PTGES, HPGDS PTGS1 5/4885PTGS2 6/4885AKR1C3 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.