Efaproxiral

Efaproxiral

SCHEMBL3763811

Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)[O-])cc2)c1.[Na+]

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

HBA1HBA2HBB

The experimentally established mechanism targets of Efaproxiral. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.49
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ LMNA P02545 2/20 0.46
▸ NLRP3 Q96P20 3/20 0.46
▸ SCN10A Q9Y5Y9 1/20 0.45
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA9 Q16790 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ ALOX12 P18054 1/20 0.43

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
Efaproxiral SCHEMBL1649963 0.88 PPARA (0.54) ALDH1A1POLBSMN1; SMN2L3MBTL1NLRP3
SCHEMBL12998270 0.88 ALDH1A1 (0.48) ALDH1A1POLBSMN1; SMN2L3MBTL1LMNA
Efaproxiral SCHEMBL3768310 0.86 PPARA (0.52) ALDH1A1SMN1; SMN2L3MBTL1NLRP3MAPT
SCHEMBL14341054 0.86 ALDH1A1 (0.51) ALDH1A1POLBSMN1; SMN2L3MBTL1LMNA
SCHEMBL12998285 0.84 PPARA (0.53) ALDH1A1POLBSMN1; SMN2L3MBTL1LMNA
SCHEMBL6357176 0.81 ALDH1A1 (0.44) ALDH1A1POLBSMN1; SMN2L3MBTL1LMNA
SCHEMBL6355161 0.80 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2L3MBTL1LMNA
SCHEMBL6356512 0.80 CNR1 (0.41) ALDH1A1POLBSMN1; SMN2L3MBTL1NLRP3
SCHEMBL6353457 0.80 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2L3MBTL1LMNA
SCHEMBL16861099 0.79 MEN1 (0.42) ALDH1A1L3MBTL1LMNANLRP3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380362-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2022-12-01 — — US disclosed
CN-101134732-B New method for preparing 2-{4-[[(3,5-dimethylaniline)carbonyl ]methyl]phenoxy}-2-methyl sodium propionate and its crystal in water JIANGSU SIMCERE PHARM RES CO 2012-05-23 — — CN disclosed
CN-101134732-B New method for preparing 2-{4-[[(3,5-dimethylaniline)carbonyl ]methyl]phenoxy}-2-methyl sodium propionate and its crystal in water JIANGSU SIMCERE PHARM RES CO 2012-05-23 — — CN disclosed
US-7847120-B2 Compositions of allosteric hemoglobin modifiers and methods of making the same VIRGINIA COMMONWEALTH UNIVERSITY INTELLECTUAL PROPERTY FOUNDATION (US) 2010-12-07 — — US disclosed
CN-101134732-A New method for preparing 2-{4-[[(3,5-dimethylaniline)carbonyl ]methyl]phenoxy}-2-methyl sodium propionate and its crystal in water JIANGSU SIMCERE PHARMACEUTICAL (CN) 2008-03-05 — — CN disclosed
CN-101134732-A New method for preparing 2-{4-[[(3,5-dimethylaniline)carbonyl ]methyl]phenoxy}-2-methyl sodium propionate and its crystal in water JIANGSU SIMCERE PHARMACEUTICAL (CN) 2008-03-05 — — CN disclosed
US-20070293698-A1 Compositions of Allosteric Hemoglobin Modifiers and Methods of Making the Same ALLOS THERAPEUTICS, INC. (US) 2007-12-20 — — US disclosed
EP-1745012-A2 COMPOSITIONS OF ALLOSTERIC HEMOGLOBIN MODIFIERS AND METHODS OF MAKING THE SAME Allos Therapeutics, Inc. (US) 2007-01-24 — — EP disclosed
WO-2005102305-A2 COMPOSITIONS OF ALLOSTERIC HEMOGLOBIN MODIFIERS AND METHODS OF MAKING THE SAME ALLOS THERAPEUTICS, INC. (US) 2005-11-03 — — WO disclosed
US-20050239893-A1 Compositions of allosteric hemoglobin modifiers and methods of making the same ALLOS THERAPEUTICS, INC. (US) 2005-10-27 — — 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 (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-20050239893-A1 Compositions of allosteric hemoglobin modifiers and methods of making the same HBB, HBZ, HBG2 ALDH1A1 4008/4885POLB 1892/4885SMN1; SMN2 2445/4885
US-20220380362-A1 PYRIMIDINE COMPOUND AND MEDICAL USE THEREOF TYMP, TYMS, DPYD ALDH1A1 709/4885POLB 432/4885SMN1; SMN2 1532/4885
US-20070293698-A1 Compositions of Allosteric Hemoglobin Modifiers and Methods of Making the Same HBB, HBZ, HBG2 ALDH1A1 4008/4885POLB 1892/4885SMN1; SMN2 2445/4885

“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.

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