Sugi Predict

Sugi Predict / Compounds / SCHEMBL4075547

SCHEMBL4075547

SCHEMBL4075547

O=C(O)CCC(=O)OCC(Cl)(Cl)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 5/20 0.41
▸ EGLN1 Q9GZT9 4/20 0.41
▸ ALKBH5 Q6P6C2 1/20 0.41
▸ SUCNR1 Q9BXA5 1/20 0.41
▸ KDM5C P41229 3/20 0.40
▸ PHF8 Q9UPP1 3/20 0.40
▸ KDM2A Q9Y2K7 3/20 0.40
▸ KDM6B O15054 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ SLC15A2 Q16348 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SLC13A3 Q8WWT9 1/20 0.33
▸ OR51E2 Q9H255 1/20 0.33
▸ TSHR P16473 3/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ PAM P19021 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ BLM P54132 1/20 0.31

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
SCHEMBL7439614 0.91 ADRA2A (0.37) ALDH1A1TSHRADRA2AADRA1AMAPT
SCHEMBL26983152 0.87 LMNA (0.46) LMNAALDH1A1TSHRSLC22A6PAM
SCHEMBL4069039 0.87 TSHR (0.48) LMNAALDH1A1TSHRSLC22A6PAM
SCHEMBL4067794 0.82 TSHR (0.33) ALDH1A1TSHRADRA2AADRA1AMAPT
SCHEMBL1405339 0.81 LMNA (0.45) LMNAEGLN1ALKBH5SUCNR1KDM5C
SCHEMBL508579 0.81 DGKA (0.41) LMNAALDH1A1TSHRPAMMAPT
SCHEMBL10105403 0.81 TSHR (0.40) LMNAALDH1A1TSHRPAMMAPT
SCHEMBL11912289 0.81 LMNA (0.45) LMNAEGLN1ALKBH5SUCNR1KDM5C
SCHEMBL8528905 0.80 TSHR (0.56) LMNAALDH1A1TSHRADRA2AADRA1A
SCHEMBL9518279 0.79 LDHA (0.36) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 — — US disclosed
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 — — US disclosed
US-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-08-20 — — US disclosed
EP-2039681-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME Takeda Pharmaceutical Company Limited (JP) 2009-03-25 — — EP disclosed
US-6689761-B1 COMPOUND J, NUCLEOSIDE ANALOG HIV REVERSE TRANSCRIPTASE INHIBITOR 3TC AND AZT MERCK & CO., INC. 2004-02-10 — — US disclosed
EP-0806957-B1 COMBINATION THERAPY FOR HIV INFECTION USING THE HIV PROTEASE INHIBITOR INDINAVIR ADN THE REVERSE TRANSCRIPTASE INHIBITOR 3TC TOGETHER WITH AZT. MERCK & CO INC (US) 2003-06-25 — — EP disclosed
EP-1044000-B1 COMBINATION THERAPY FOR THE TREATMENT OF AIDS MERCK & CO INC (US) 2002-06-12 — — EP disclosed
US-6180634-B1 SYNERGISTIC COMBINATION OFN-(2(R)-HYDROXY-1(S)-INDANYL)-2(R)-PHENYLMETHYL-4-(S)-HYDROX Y-5-(1-(4-(2-BENZO(B)FURANYLMETHYL)-2-N'(T-BUTYLCARBOXAMIDO)-P IPERAZINYL))-PENTANEAMIDE AND INDINAVIR MERCK & CO., INC. 2001-01-30 — — US disclosed
EP-0621270-B1 Piperazine derivatives as collagenase inhibitors SANKYO CO (JP) 2000-04-12 — — EP disclosed
US-5733907-A Prodrugs of an inhibitor of HIV protease MERCK & CO., INC. (US) 1998-03-31 — — US disclosed
EP-0806957-A1 COMBINATION THERAPY FOR HIV INFECTION USING THE HIV PROTEASE INHIBITOR INDINAVIR ADN THE REVERSE TRANSCRIPTASE INHIBITOR 3TC, OPTIONALLY TOGETHER WITH AZT, DDI OR DDC Merck & Co., Inc. (US) 1997-11-19 — — EP disclosed
US-5643908-A ANGIOGENESIS INHIBITOR, ANTITUMOR SANKYO COMPANY, LIMITED (JP) 1997-07-01 — — US disclosed
EP-0767664-A2 COMBINATION THERAPY FOR HIV INFECTION MERCK & CO. INC. (US) 1997-04-16 — — EP disclosed
EP-0729467-A1 PRODRUGS OF AN INHIBITOR OF HIV PROTEASE MERCK & CO. INC. (US) 1996-09-04 — — EP disclosed
WO-1996023509-A1 COMBINATION THERAPY FOR HIV INFECTION USING THE HIV PROTEASE INHIBITOR INDINAVIR AND THE REVERSE TRANSCRIPTASE INHIBITOR 3TC, OPTIONALLY TOGETHER WITH AZT, DDI OR DDC MERCK & CO., INC. (US) 1996-08-08 — — WO disclosed
WO-1996000068-A2 COMBINATION THERAPY FOR HIV INFECTION MERCK & CO., INC. (US) 1996-01-04 — — WO disclosed
WO-1995014016-A1 PRODRUGS OF AN INHIBITOR OF HIV PROTEASE MERCK & CO., INC. (US) 1995-05-26 — — WO disclosed
EP-0621270-A1 COLLAGENASE INHIBITOR SANKYO COMPANY LIMITED (JP) 1994-10-26 — — EP disclosed
US-4457920-A ANTIBIOTIC PARASITICIDES MERCK & CO., INC. (US) 1984-07-03 — — US disclosed
EP-0074758-A1 4a-Substituted avermectin compounds, their production and antiparasitic use, and compositions containing them MERCK & CO. INC. (US) 1983-03-23 — — 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-20090209585-A1 CYCLOALKENE DERIVATIVES, PROCESS FOR PRODUCTION OF THE DERIVATIVES, AND USE OF THE SAME SQLE, FDFT1, PTGIS LMNA 4058/4885EGLN1 4033/4885ALKBH5 1219/4885

“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.