SCHEMBL7028409

SCHEMBL7028409

CCOC(=O)C(C)(Cc1cc2cc(OC)c(OC)cc2s1)C(=O)ONC(=O)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 6/20 0.45
ACHE P22303 6/20 0.38
STK17B O94768 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 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
SCHEMBL7032904 0.85 TSHR (0.38) SMN1; SMN2ALDH1A1KDM4EMAPTHPGD
SCHEMBL7028412 0.82 STING1 (0.47) STING1ALDH1A1KDM4EMAPTHPGD
SCHEMBL7034684 0.78 STING1 (0.57) STING1
SCHEMBL7026274 0.75 ALDH1A1 (0.40) STING1ACHEALDH1A1HPGDKMT2A
SCHEMBL7026271 0.74 ALDH1A1 (0.45) STING1ACHEALDH1A1HPGDKMT2A
SCHEMBL7026280 0.72 ALDH1A1 (0.43) STING1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL7027417 0.72 STING1 (0.50) STING1ACHE
SCHEMBL7029339 0.69 STING1 (0.51) STING1ACHE
SCHEMBL7026421 0.69 STING1 (0.47) STING1
SCHEMBL7032737 0.69 STING1 (0.47) STING1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030109570-A1 Activate a peroxisome proliferator-activated receptor (PPAR) alpha or gamma which is an intranuclear transcription factor. The compound may be used as an active ingredient to give a drug for preventing or treating a variety of diseases MITSUI CHEMICALS, INC. (JP) 2003-06-12 US disclosed
EP-1284265-A1 BENZOTHIOPHENE DERIVATIVES AND MEDICINAL USE THEREOF Mitsui Chemicals, Inc. (JP) 2003-02-19 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-20030109570-A1 Activate a peroxisome proliferator-activated receptor (PPAR) alpha or gamma which is an intranuclear transcription factor. The compound may be used as an active ingredient to give a drug for preventing or treating a variety of diseases PPARG, PPARA, PPARD STING1 878/4885ACHE 3734/4885STK17B 2272/4885

“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.