SCHEMBL7028094

SCHEMBL7028094

COC(Cc1cc2ccccc2s1)C(=O)Nc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.49
HDAC2 Q92769 2/20 0.47
PARP1 P09874 1/20 0.46
PARP10 Q53GL7 1/20 0.46
MMP1 P03956 1/20 0.45
FCER2 P06734 1/20 0.45
CYP2A6 P11509 3/20 0.43
AGXT P21549 1/20 0.43
ADRB2 P07550 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
KLK7 P49862 2/20 0.41
PIN1 Q13526 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
SCHEMBL7026992 0.89 PARP1 (0.44) PARP1PARP10
SCHEMBL7026459 0.85 AGXT (0.49) MMP1FCER2CYP2A6AGXTADRB2
SCHEMBL7025429 0.84 TAS1R3 (0.51) HDAC2MMP1FCER2CYP2A6AGXT
SCHEMBL7027101 0.83 RAB9A (0.45) HDAC2MMP1FCER2CYP2A6AGXT
SCHEMBL7031640 0.83 AGXT (0.49) MMP1FCER2CYP2A6AGXTADRB2
SCHEMBL7029998 0.80 AGXT (0.43) MMP1FCER2CYP2A6AGXTADRB2
SCHEMBL7027685 0.80 AGXT (0.46) CYP2A6AGXTADRB2ASIC3LOXL2
SCHEMBL7035770 0.80 AGXT (0.46) MMP1FCER2CYP2A6AGXTADRB2
SCHEMBL7026256 0.79 AGXT (0.46) MMP1FCER2CYP2A6AGXTADRB2
SCHEMBL7031054 0.76 KMT2A (0.44) MMP1FCER2CYP2A6AGXTADRB2

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 FAAH 2303/4885HDAC2 379/4885PARP1 1686/4885

“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.