SCHEMBL7025922

SCHEMBL7025922

CC(Cc1cc2ccccc2s1)(C(N)=O)C(N)=O.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.51
ASIC3 Q9UHC3 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.51
AGXT P21549 1/20 0.47
ADRB2 P07550 1/20 0.47
ALOX5 P09917 4/20 0.46
CYP1A2 P05177 2/20 0.46
PTGES O14684 1/20 0.46
LMNA P02545 1/20 0.46
LTA4H P09960 1/20 0.46
GAA P10253 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
ALOX5AP P20292 1/20 0.46
LOX P28300 1/20 0.46
EPHX2 P34913 1/20 0.46
PTGS2 P35354 1/20 0.46
LTB4R Q15722 1/20 0.46
SLC9A1 P19634 2/20 0.43
BCL2L1 Q07817 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
SCHEMBL7030160 0.98 CYP2A6 (0.53) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL7026568 0.88 CYP2A6 (0.49) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL7031355 0.85 CYP2A6 (0.43) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL7033869 0.84 CYP2A6 (0.54) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL7026250 0.81 CYP2A6 (0.54) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL6379620 0.80 CYP2A6 (0.61) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL11893281 0.79 CYP2A6 (0.58) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL7023102 0.78 CYP2A6 (0.47) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL7033987 0.78 CYP2A6 (0.47) CYP2A6ASIC3LOXL2AGXTADRB2
SCHEMBL28040728 0.78 CYP2A6 (0.41) CYP2A6ASIC3LOXL2AGXTADRB2

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 CYP2A6 1367/4885ASIC3 4582/4885LOXL2 4068/4885

“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.