SCHEMBL5969080

SCHEMBL5969080

CCCC[C@@H](C)[C@@H](O)[C@H](NC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
MAPK1 P28482 1/20 0.41
GPR84 Q9NQS5 5/20 0.40
FFAR1 O14842 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
PLA2G2A P14555 1/20 0.38
PLA2G5 P39877 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
FAAH O00519 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
SLC15A1 P46059 1/20 0.35
CA1 P00915 2/20 0.34

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
SCHEMBL10592678 1.00 CA2 (0.41) CA2MAPK1GPR84FFAR1SMN1; SMN2
SCHEMBL21895808 0.87 CA2 (0.45) CA2MAPK1GPR84FFAR1SMN1; SMN2
SCHEMBL17909990 0.81 ALDH1A1 (0.36) ALDH1A1
SCHEMBL20961233 0.81 ACE2 (0.47) GPR84FFAR1SMN1; SMN2PLA2G2APLA2G5
SCHEMBL6207891 0.81 ALDH1A1 (0.48) CA2ACE2ALDH1A1CA1
SCHEMBL8028251 0.81 ALDH1A1 (0.48) CA2ACE2ALDH1A1CA1
SCHEMBL2232837 0.81 ALDH1A1 (0.48) CA2ACE2ALDH1A1CA1
SCHEMBL15537061 0.80 TSHR (0.42) SLC1A1ALDH1A1
SCHEMBL17909986 0.80 GABRR1 (0.45) ALDH1A1
SCHEMBL17909993 0.80 ALDH1A1 (0.35) SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0098457-B1 (1S,2R,3R)- AND (1R,2S,3S)-NITRILO-1-CARBONYL-3-METHYL-2-OXY-HEPTANES AND -HEPT-5-ENES USEFUL IN THE TOTAL SYNTHESIS OF CYCLOSPORINS AND PROCESSES FOR THEIR PRODUCTION SANDOZ AG (CH) 1987-08-05 EP claimed
EP-0098457-A2 (1S,2R,3R)- and (1R,2S,3S)-nitrilo-1-carbonyl-3-methyl-2-oxy-heptanes and -hept-5-enes useful in the total synthesis of cyclosporins and processes for their production SANDOZ AG (CH) 1984-01-18 EP claimed
EP-0034567-A2 A method for the total synthesis of cyclosporins and novel cyclosporins SANDOZ AG (CH) 1981-08-26 EP claimed
US-6995139-B2 Cyclic undecapeptide pro-drugs and uses thereof DEBIOPHARM S.A. (CH) 2006-02-07 US disclosed
EP-1379547-B1 MODIFIED CYCLOSPORIN AS A PRO-DRUG AND USE THEREOF AS A MEDICAMENT DEBIOPHARM SA (CH) 2005-12-21 EP disclosed
US-20040138108-A1 Pro-drug and use thereof as a medicament OPHTHALMOPHARMA AG (CH) 2004-07-15 US disclosed
CN-1507451-A Cyclosporin-pro-drug and use thereof as a medicament �±Ȱ·�ķ�ɷ����޹�˾ 2004-06-23 CN disclosed
EP-1379547-A2 PRO-DRUG AND USE THEREOF AS A MEDICAMENT DEBIOPHARM S.A. (CH) 2004-01-14 EP disclosed
WO-2002085928-A2 MODIFIED CYCLOSPORINE WHICH CAN BE USED AS A PRO-DRUG AND USE THEREOF DEBIOPHARM S.A. (CH) 2002-10-31 WO disclosed
EP-0471295-B1 Protein precipitation reagent ABBOTT LAB (US) 1995-11-08 EP disclosed
EP-0296123-B1 Cyclic peptolides SANDOZ AG (CH) 1994-08-31 EP disclosed
EP-0098456-B1 PEPTIDES COMPRISING A (1S,2R,3R)- OR (1R,2S,3S)-1-NITRILO-1-CARBONYL-3-METHYL-2-OXY-HEPTANE OR -HEPT-5-ENE RESIDUE USEFUL IN THE TOTAL SYNTHESIS OF CYCLOSPORINS, AND PROCESSES FOR THEIR PRODUCTION SANDOZ AG (CH) 1989-05-24 EP disclosed
EP-0098457-B1 (1S,2R,3R)- AND (1R,2S,3S)-NITRILO-1-CARBONYL-3-METHYL-2-OXY-HEPTANES AND -HEPT-5-ENES USEFUL IN THE TOTAL SYNTHESIS OF CYCLOSPORINS AND PROCESSES FOR THEIR PRODUCTION SANDOZ AG (CH) 1987-08-05 EP disclosed
US-4554351-A STEREOISOMERS SANDOZ LTD. (CH) 1985-11-19 US disclosed
EP-0034567-B1 A METHOD FOR THE TOTAL SYNTHESIS OF CYCLOSPORINS AND NOVEL CYCLOSPORINS SANDOZ AG (CH) 1984-11-07 EP disclosed
EP-0098457-A2 (1S,2R,3R)- and (1R,2S,3S)-nitrilo-1-carbonyl-3-methyl-2-oxy-heptanes and -hept-5-enes useful in the total synthesis of cyclosporins and processes for their production SANDOZ AG (CH) 1984-01-18 EP disclosed
EP-0098456-A2 Peptides comprising a (1S,2R,3R)- or (1R,2S,3S)-1-nitrilo-1-carbonyl-3-methyl-2-oxy-heptane or -hept-5-ene residue useful in the total synthesis of cyclosporins, and processes for their production SANDOZ AG (CH) 1984-01-18 EP disclosed
US-4396542-A Method for the total synthesis of cyclosporins, novel cyclosporins and novel intermediates and methods for their production SANDOZ LTD. (CH) 1983-08-02 US disclosed
EP-0034567-A2 A method for the total synthesis of cyclosporins and novel cyclosporins SANDOZ AG (CH) 1981-08-26 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-20040138108-A1 Pro-drug and use thereof as a medicament OGFR, OPRM1, OPRL1 CA2 1820/4885MAPK1 1130/4885GPR84 554/4885

“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.