SCHEMBL5761802

SCHEMBL5761802

O=C(O)CCCC1CCC(c2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
AKR1C3 P42330 1/20 0.45
AKR1C1 Q04828 1/20 0.45
CYP2C9 P11712 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
DGAT1 O75907 2/20 0.44
ESR2 Q92731 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
LTA4H P09960 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
HDAC6 Q9UBN7 2/20 0.42
KDM1A O60341 1/20 0.42
HTR7 P34969 1/20 0.42
USP5 P45974 1/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 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
SCHEMBL4976344 1.00 IDO1 (0.46) IDO1AKR1C3AKR1C1CYP2C9FFAR4
SCHEMBL12209860 0.90 AKR1C3 (0.50) AKR1C3AKR1C1FFAR4KDM1A
SCHEMBL4975059 0.86 IDO1 (0.49) IDO1CYP2C9FFAR4DGAT1ESR2
SCHEMBL3900469 0.86 IDO1 (0.49) IDO1CYP2C9FFAR4DGAT1ESR2
SCHEMBL14612886 0.83 LMNA (0.47) IDO1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL28856478 0.83 IDO1 (0.48) IDO1AKR1C3AKR1C1CYP2C9DGAT1
SCHEMBL3901891 0.81 ALDH1A1 (0.46) CYP2C9ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL22423871 0.81 ESR2 (0.56) IDO1CYP2C9ESR2SIGMAR1
SCHEMBL28066064 0.81 IDO1 (0.47) IDO1AKR1C3AKR1C1CYP2C9DGAT1
SCHEMBL766285 0.80 AKR1C3 (0.53) IDO1AKR1C3AKR1C1FFAR4DGAT1

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-1204652-B1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (US) 2006-05-17 EP disclosed
US-6649642-B2 Useful in the treatment of autoimmune and other cathepsin related diseases. BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-11-18 US disclosed
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-05-08 US disclosed
EP-1204652-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-15 EP disclosed
US-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors BEKKALI YOUNES (US) 2001-11-15 US disclosed
US-6313117-B1 TREATING AUTOIMMUNE DISORDERS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2001-11-06 US disclosed
WO-2001009110-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-02-08 WO 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 (2 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-20010041700-A1 Novel succinate derivative compounds useful as cysteine protease inhibitors SDHA, LONP1, SUCNR1 IDO1 1502/4885AKR1C3 560/4885AKR1C1 621/4885
US-20030087939-A1 NOVEL SUCCINATE DERIVATIVE COMPOUNDS USEFUL AS CYSTEINE PROTEASE INHIBITORS SDHA, LONP1, SUCNR1 IDO1 1502/4885AKR1C3 560/4885AKR1C1 621/4885

“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.