SCHEMBL3647928

SCHEMBL3647928

CCCCOC(=O)NC(C(=O)OC)P(=O)(OC)OC

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.42
▸ ACHE P22303 7/20 0.41
▸ MAPT P10636 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL5671564 0.91 EPHX1 (0.40) EPHX1ACHEMAPTALDH1A1RECQL
SCHEMBL14620243 0.87 EPHX1 (0.37) EPHX1ACHEMAPTALDH1A1RECQL
SCHEMBL2707882 0.81 SMN1; SMN2 (0.33) SMN1; SMN2CA1CA2CYP2C19
SCHEMBL6505996 0.76 TSHR (0.47) EPHX1ACHEMAPTALDH1A1SMN1; SMN2
SCHEMBL13218914 0.75 EPHX1 (0.46) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL20683487 0.75 CA1 (0.46) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL1696818 0.75 CA1 (0.46) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL5622460 0.74 EPHX1 (0.48) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL2344660 0.73 EPHX1 (0.44) EPHX1ACHEALDH1A1SMN1; SMN2NPC1
SCHEMBL16760 0.73 CA12 (0.41) CA1CA2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081363-A1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES STEALTH BIOTHERAPEUTICS CORP (MC) 2017-03-23 — — US disclosed
US-20160340389-A1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES STEALTH BIOTHERAPEUTICS INC. 2016-11-24 — — US disclosed
WO-2015134096-A1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES STEALTH PEPTIDES INTERNATIONAL, INC. (MC) 2015-09-11 — — WO disclosed
EP-2190824-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM Wyeth a Corporation of the State of Delaware (US) 2010-06-02 — — EP disclosed
WO-2009026319-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 — — WO disclosed
WO-2009026326-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 — — 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-20160340389-A1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES ADM2, VIP, ANPEP EPHX1 4689/4885ACHE 3859/4885MAPT 506/4885
US-20170081363-A1 PHARMACEUTICALLY RELEVANT AROMATIC-CATIONIC PEPTIDES ADM2, VIP, ANPEP EPHX1 4544/4885ACHE 4004/4885MAPT 459/4885

“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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