SCHEMBL3183832

SCHEMBL3183832

CCC(=Cc1cccc(Cl)c1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ AKR1C3 P42330 2/20 0.50
▸ POLB P06746 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ PTGS2 P35354 1/20 0.48
▸ CYP2C9 P11712 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ FBP1 P09467 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ LMNA P02545 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ TBXAS1 P24557 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ AKR1C2 P52895 1/20 0.42

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
SCHEMBL11333114 1.00 KMT2A (0.50) KMT2AKDM4EALDH1A1AKR1C3POLB
SCHEMBL11340474 0.88 AKR1C3 (0.48) KMT2AKDM4EALDH1A1AKR1C3POLB
SCHEMBL11340472 0.88 AKR1C3 (0.48) KMT2AKDM4EALDH1A1AKR1C3POLB
SCHEMBL6338925 0.82 KDM4E (0.58) KMT2AKDM4ECYP2C9EPHX2MEN1
SCHEMBL20184163 0.82 KDM4E (0.58) KMT2AKDM4ECYP2C9EPHX2MEN1
SCHEMBL1579813 0.82 TBXAS1 (0.48) KDM4EALDH1A1AKR1C3CYP2C9EPHX2
SCHEMBL1579814 0.82 TBXAS1 (0.48) KDM4EALDH1A1AKR1C3CYP2C9EPHX2
SCHEMBL14032639 0.82 EPHX2 (0.47) KMT2AKDM4EALDH1A1PKMPTGS2
SCHEMBL2391183 0.82 KDM4E (0.58) KMT2AKDM4ECYP2C9EPHX2MEN1
SCHEMBL309762 0.81 CYP3A4 (0.63) KMT2AALDH1A1AKR1C3CYP2C9EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666855-B2 2′-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2010-02-23 — — US disclosed
US-20090131370-A1 Novel Nucleoside Derivatives METABASIS THERAPEUTICS , INC. (US) 2009-05-21 — — US disclosed
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MERCK SHARP & DOHME CORP. 2009-05-07 — — US disclosed
EP-1915053-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES Merck & Co., Inc. (US) 2008-04-30 — — EP disclosed
EP-1905778-A2 Novel 2'-C-methyl nucleoside derivatives Metabasis Therapeutics, Inc. (US) 2008-04-02 — — EP disclosed
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-08-02 — — US disclosed
EP-1781101-A2 NOVEL NUCLEOSIDE DERIVATIVES Metabasis Therapeutics, Inc. (US) 2007-05-09 — — EP disclosed
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives METABASIS THERAPEUTICS, INC. (US) 2007-02-22 — — US disclosed
WO-2007022073-A2 NOVEL 2'-C-METHYL AND 4'-C-METHYL NUCLEOSIDE DERIVATIVES MERCK & CO., INC. (US) 2007-02-22 — — WO disclosed
WO-2006033709-A2 NOVEL NUCLEOSIDE DERIVATIVES METABASIS THERAPEUTICS, INC. (US) 2006-03-30 — — WO disclosed
US-20050182252-A1 Hepatitis C viral infection; 2'-C-beta-methyl-7-deazaadenosine; trans-4-(aryl)-2-(4-nitrophenoxy)-2-oxo-1,3,2-dioxaphosphorinanes METABASIS THERAPEUTICS, INC. 2005-08-18 — — US disclosed
US-4273873-A BONDING SYNTHETIC FIBRINOLYTIC COMPOUND OR ENZYME UNITIKA LTD. (JP) 1981-06-16 — — 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 (5 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-20090131370-A1 Novel Nucleoside Derivatives SLC29A1, SLC29A2, PNP KMT2A 4301/4885KDM4E 2997/4885ALDH1A1 1260/4885
US-20050182252-A1 Hepatitis C viral infection; 2'-C-beta-methyl-7-deazaadenosine; trans-4-(aryl)-2-(4-nitrophenoxy)-2-oxo-1,3,2-dioxaphosphorinanes MTAP, NT5C3B, ADAR KMT2A 3094/4885KDM4E 2793/4885ALDH1A1 548/4885
US-20070042989-A1 Novel 2'-C-methyl nucleoside derivatives NSUN2, NT5C3B, MTAP KMT2A 1321/4885KDM4E 1166/4885ALDH1A1 994/4885
US-20090118223-A1 Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives MTAP, NT5C3B, NSUN2 KMT2A 1072/4885KDM4E 598/4885ALDH1A1 1977/4885
US-20070179114-A1 Novel 2'-C methyl nucleoside derivatives NSUN2, NT5C3B, MTAP KMT2A 1055/4885KDM4E 1054/4885ALDH1A1 909/4885

“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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