Efaproxiral

Efaproxiral

SCHEMBL3768310

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

nearest known ligand 0.52

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 18)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 10/20 0.52
▸ PPARG P37231 2/20 0.52
▸ ALDH1A1 P00352 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NLRP3 Q96P20 1/20 0.46
▸ RORC P51449 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPT P10636 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PPARD Q03181 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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 0.99 PPARA (0.54) PPARAPPARGALDH1A1MEN1KMT2A
SCHEMBL12998270 0.89 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AL3MBTL1NLRP3
SCHEMBL12998281 0.88 HPGD (0.62) PPARAPPARGALDH1A1MEN1KMT2A
SCHEMBL6558056 0.87 SMN1; SMN2 (0.58) PPARAPPARGALDH1A1MEN1KMT2A
SCHEMBL14341054 0.87 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AL3MBTL1NLRP3
SCHEMBL29079329 0.86 PPARA (0.56) PPARAPPARGALDH1A1KMT2ARAB9A
Efaproxiral SCHEMBL3763811 0.86 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AL3MBTL1NLRP3
SCHEMBL12998285 0.85 PPARA (0.53) PPARAPPARGALDH1A1MEN1KMT2A
SCHEMBL6353457 0.85 ALDH1A1 (0.45) PPARAPPARGALDH1A1MEN1KMT2A
SCHEMBL6556141 0.85 PPARA (0.61) PPARAPPARGALDH1A1MEN1KMT2A

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
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
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 (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-20050239893-A1 Compositions of allosteric hemoglobin modifiers and methods of making the same HBB, HBZ, HBG2 PPARA 1401/4885PPARG 1276/4885ALDH1A1 4008/4885
US-20070293698-A1 Compositions of Allosteric Hemoglobin Modifiers and Methods of Making the Same HBB, HBZ, HBG2 PPARA 1401/4885PPARG 1276/4885ALDH1A1 4008/4885

“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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