SCHEMBL7026992

SCHEMBL7026992

COC(Cc1cc2ccccc2s1)C(=O)Nc1cccc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
PARP10 Q53GL7 1/20 0.44
MAPT P10636 5/20 0.43
TP53 P04637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALOX15 P16050 1/20 0.43
RAB9A P51151 4/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
NPC1 O15118 3/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX5 P09917 3/20 0.42
EPHX2 P34913 3/20 0.42
ATM Q13315 1/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL7028094 0.89 FAAH (0.49) PARP1PARP10
SCHEMBL7025429 0.79 TAS1R3 (0.51) ALOX15ALOX5EPHX2LMNAGAA
SCHEMBL7027101 0.77 RAB9A (0.45) ALOX15RAB9ANPC1ALOX5EPHX2
SCHEMBL7026459 0.77 AGXT (0.49) ALOX15ALOX5EPHX2LMNAGAA
SCHEMBL7031640 0.77 AGXT (0.49) ALOX15ALOX5EPHX2LMNAGAA
SCHEMBL11078801 0.75 PARP1 (0.69) PARP1PARP10MAPTTP53ALDH1A1
SCHEMBL7027685 0.74 AGXT (0.46) ALOX15ALOX5EPHX2LMNAGAA
SCHEMBL7035770 0.74 AGXT (0.46) ALOX15ALOX5EPHX2LMNAGAA
SCHEMBL9026687 0.73 HPGD (0.51) MAPTL3MBTL1ALDH1A1HPGDALOX15
SCHEMBL7029998 0.72 AGXT (0.43) ALOX15ALOX5EPHX2LMNAGAA

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 PARP1 1686/4885PARP10 1850/4885MAPT 1948/4885

“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.