SCHEMBL3731768

SCHEMBL3731768

CCN1CCN(C(=O)NC(C([NH])=O)c2ccc(O)cc2)C(=O)C1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SLC22A6 Q4U2R8 1/20 0.43
▸ SLC22A8 Q8TCC7 1/20 0.43
▸ SLC22A11 Q9NSA0 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ FOLH1 Q04609 1/20 0.33
▸ UGCG Q16739 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ NAALAD2 Q9Y3Q0 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30

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
SCHEMBL8113253 1.00 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL9327248 0.89 MAPT (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL14288987 0.89 MAPT (0.44) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL9567734 0.89 MAPT (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL11431737 0.89 MAPT (0.46) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL9814590 0.89 MEN1 (0.38) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL28435235 0.88 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL28473803 0.88 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL3731770 0.88 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL27461765 0.88 MAPT (0.43) MAPTPDE3ASLC22A6SLC22A8SLC22A11

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0076621-B1 AZETIDINONE DERIVATIVES AJINOMOTO CO., INC. (JP) 1987-09-23 — — EP claimed
EP-0043205-B1 PENICILLIN DERIVATIVES BEECHAM GROUP PLC (GB) 1984-09-26 — — EP claimed
US-7825238-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2010-11-02 — — US disclosed
US-7071173-B2 Antiviral methods employing double esters of 2′, 3′-dideoxy-3′-fluoroguanosine MEDIVIR AB (SE) 2006-07-04 — — US disclosed
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine MEDIVIR AB (SE) 2006-06-08 — — US disclosed
US-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE MEDIVIR AB (SE) 2006-03-16 — — US disclosed
US-6974802-B2 Treatment of viral infections using prodrugs of 2′,3-dideoxy,3′-fluoroguanosine MEDIVIR AB (SE) 2005-12-13 — — US disclosed
US-20030186924-A1 Prodrugs MEDIVIR AB 2003-10-02 — — US disclosed
US-6458772-B1 Prodrugs MEDIVIR AB (SE) 2002-10-01 — — US disclosed
EP-1054891-A1 PRODRUGS MEDIVIR AB (SE) 2000-11-29 — — EP disclosed
WO-1999041275-A1 PRODRUGS MEDIVIR AB (SE) 1999-08-19 — — WO disclosed
EP-0350210-A2 Novel 6-amido-1-methyl-2-(substituted-thio)-carbapenems MERCK & CO. INC. (US) 1990-01-10 — — EP disclosed
EP-0350211-A2 Novel 6-amido-1-methyl carbapenems MERCK & CO. INC. (US) 1990-01-10 — — EP disclosed
US-4826833-A ANTIBIOTICS PFIZER INC. (US) 1989-05-02 — — US disclosed
EP-0222022-A1 PROCESS FOR PRODUCING BETA-LACTAM DERIVATIVES Otsuka Kagaku Kabushiki Kaisha (JP) 1987-05-20 — — EP disclosed
EP-0150984-A2 6-(Substituted) methylenepenicillanic and 6-(substituted) hydroxymethylpenicillanic acids and derivatives thereof PFIZER INC. (US) 1985-08-07 — — EP disclosed
EP-0043205-B1 PENICILLIN DERIVATIVES BEECHAM GROUP PLC (GB) 1984-09-26 — — EP disclosed
US-4416883-A ANTIBIOTICS BEECHAM GROUP LIMITED (GB) 1983-11-22 — — US disclosed
EP-0043205-A1 Penicillin derivatives BEECHAM GROUP PLC (GB) 1982-01-06 — — EP disclosed
US-4144391-A REPLACING AN ACETOXY GROUP BY A SULFUR NUCLEOPHILE ELI LILLY AND COMPANY (US) 1979-03-13 — — 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 (3 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-20060058259-A1 ANTIVIRAL METHODS EMPLOYING DOUBLE ESTERS OF 2', 3'-DIDEOXY-3'-FLUOROGUANOSINE UNG, HAVCR2, EIF2AK2 MAPT 4482/4885PDE3A 1375/4885SLC22A6 834/4885
US-20030186924-A1 Prodrugs HAVCR2, CYP7A1, IGSF11 MAPT 3289/4885PDE3A 2205/4885SLC22A6 554/4885
US-20060122383-A1 Antiviral methods employing double esters of 2', 3'-dideoxy-3'-fluoroguanosine UNG, HAVCR2, EIF2AK2 MAPT 4482/4885PDE3A 1375/4885SLC22A6 834/4885

“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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