SCHEMBL4644352

SCHEMBL4644352

O=C(O)c1ccccc1OC(I)(I)C(I)(I)I

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.51
HSD17B10 Q99714 6/20 0.51
HPGD P15428 6/20 0.51
ALDH1A1 P00352 10/20 0.50
HMGB1 P09429 2/20 0.50
NAPRT Q6XQN6 2/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
TSHR P16473 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
PTGS2 P35354 1/20 0.50
BLM P54132 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAPT P10636 2/20 0.49
USP2 O75604 1/20 0.49
PDE3A Q14432 1/20 0.49
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47

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
SCHEMBL4644626 0.85 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1HMGB1
SCHEMBL4643007 0.79 KDM4E (0.58) KDM4EHSD17B10HPGDALDH1A1HMGB1
SCHEMBL29374906 0.77 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1HMGB1
SCHEMBL31336377 0.77 KDM4E (0.58) KDM4EHSD17B10HPGDALDH1A1HMGB1
SCHEMBL4645695 0.77 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1HMGB1
SCHEMBL219675 0.77 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1HMGB1
SCHEMBL2110850 0.77 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1HMGB1
SCHEMBL3146899 0.77 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1HMGB1
SCHEMBL282647 0.77 KDM4E (0.58) KDM4EHSD17B10HPGDALDH1A1HMGB1
SCHEMBL5511434 0.77 KDM4E (0.53) KDM4EHSD17B10HPGDALDH1A1HMGB1

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-1443042-B1 HYBRID ONIUM SALT WAKO PURE CHEM IND LTD (JP) 2008-08-13 EP disclosed
US-7101918-B2 Hybrid type onium salt WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-09-05 US disclosed
US-7049464-B2 Process for producing of an aminoalkylsulfonic acid and a method of salt exchange for a salt thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-23 US disclosed
US-20050261370-A1 Process for producing of an aminoalkylsulfonic acid and a method of salt exchange for a salt thereof WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2005-11-24 US disclosed
EP-1548002-A1 PROCESS FOR PRODUCING AMINOALKYLSULFONIC ACID AND METHOD OF SALT EXCHANGE FOR SALT THEREOF Wako Pure Chemical Industries, Ltd. (JP) 2005-06-29 EP disclosed
US-20050020710-A1 Hybrid onium salt WAKO PURE CHEMICALS INDUSTRIES, LTD. (JP) 2005-01-27 US disclosed
EP-1443042-A1 HYBRID ONIUM SALT Wako Pure Chemical Industries, Ltd. (JP) 2004-08-04 EP 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 (1 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-20050261370-A1 Process for producing of an aminoalkylsulfonic acid and a method of salt exchange for a salt thereof ARSA, ADSL, ASS1 KDM4E 2207/4885HSD17B10 1406/4885HPGD 3999/4885

“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.