SCHEMBL18407151

SCHEMBL18407151

O=C(O)c1ccc(OI)o1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL54695 0.78 KMT2A (0.54) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL27931982 0.78 TDP1 (0.58) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL38726 0.75 TDP1 (0.61) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL11904537 0.75 TDP1 (0.61) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL55477 0.75 TDP1 (0.47) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL6229622 0.75 TDP1 (0.51) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL20144700 0.74 TDP1 (0.45) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL7138575 0.74 ALDH1A1 (0.65) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL2851741 0.74 NPSR1 (0.51) TDP1MEN1KMT2AALDH1A1HPGD
SCHEMBL4892995 0.74 TDP1 (0.68) TDP1MEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3253742-B1 SYNTHETIC PROCESS FOR PREPARING 2-((2-ETHOXY-2-OXOETHYL)(METHYL)AMINO)-2-OXOETHYL 5-TETRADECYLOXY)FURAN-2-CARBOXYLATE DERMIRA INC (US) 2020-04-08 EP disclosed
EP-3253743-B1 SYNTHETIC PROCESS FOR PREPARING 2-FUROIC ACID DERIVATIVES DERMIRA INC (US) 2019-05-15 EP disclosed
US-9975867-B2 Synthetic process for preparing 2-furoic acid derivatives DERMIRA INC. (US) 2018-05-22 US disclosed
WO-2018022797-A1 DERMATOLOGICAL FORMULATIONS OF 2-(2-ETHOXY-2-OXOETHYL)(METHYL)AMINO-2-OXOETHYL 5-(TETRADECYLOXY)FURAN-2-CARBOXYLATE DERMIRA INC. (US) 2018-02-01 WO disclosed
US-20180028487-A1 DERMATOLOGICAL FORMULATIONS OF 2-(2-ETHOXY-2-OXOETHYL)(METHYL)AMINO-2-OXOETHYL 5-(TETRADECYLOXY)FURAN-2-CARBOXYLATE DERMIRA, INC. 2018-02-01 US disclosed
US-9745277-B2 Synthetic process for preparing 2-((2-ethoxy-2-oxoethyl)(methyl)amino)-2-oxoethyl 5-tetradecyloxy)furan-2-carboxylate DERMIRA INC. (US) 2017-08-29 US disclosed
US-20170022176-A1 SYNTHETIC PROCESS FOR PREPARING 2-((2-ETHOXY-2-OXOETHYL)(METHYL)AMINO)-2-OXOETHYL 5-TETRADECYLOXY)FURAN-2-CARBOXYLATE DERMIRA, INC. 2017-01-26 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-20180028487-A1 DERMATOLOGICAL FORMULATIONS OF 2-(2-ETHOXY-2-OXOETHYL)(METHYL)AMINO-2-OXOETHYL 5-(TETRADECYLOXY)FURAN-2-CARBOXYLATE CUTA, CYP1A2, DPM1 TDP1 2071/4885MEN1 3030/4885KMT2A 339/4885
US-20170022176-A1 SYNTHETIC PROCESS FOR PREPARING 2-((2-ETHOXY-2-OXOETHYL)(METHYL)AMINO)-2-OXOETHYL 5-TETRADECYLOXY)FURAN-2-CARBOXYLATE TET2, TET3, TET1 TDP1 3718/4885MEN1 941/4885KMT2A 481/4885

“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.