SCHEMBL7029170

SCHEMBL7029170

CC(Cc1cc2ccccc2s1)(C(=O)NCc1ccccc1)C(=O)NCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 5/20 0.58
RIPK1 Q13546 1/20 0.49
CYP2A6 P11509 2/20 0.48
ADRB2 P07550 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
OPRK1 P41145 1/20 0.43
SENP5 Q96HI0 1/20 0.43
SENP2 Q9HC62 1/20 0.43
SENP1 Q9P0U3 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CLK1 P49759 1/20 0.43
KDM4C Q9H3R0 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
HDAC1 Q13547 4/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
NCOR2 Q9Y618 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
SCHEMBL7029173 0.95 MMP8 (0.52) MMP8RIPK1CYP2A6ADRB2L3MBTL1
SCHEMBL7029172 0.84 MMP8 (0.42) MMP8RIPK1CYP2A6ADRB2OPRK1
SCHEMBL7033305 0.83 STING1 (0.54) MMP8RIPK1L3MBTL1SMN1; SMN2CLK1
SCHEMBL7035382 0.83 RAB9A (0.49) MMP8CYP2A6ADRB2SMN1; SMN2ALDH1A1
SCHEMBL7026250 0.82 CYP2A6 (0.54) CYP2A6ADRB2KDM4CHDAC1HDAC3
SCHEMBL7025427 0.82 MMP8 (0.53) MMP8CYP2A6ADRB2SENP5SENP2
SCHEMBL7033869 0.81 CYP2A6 (0.54) CYP2A6ADRB2KDM4CHDAC1HDAC3
SCHEMBL7035389 0.80 RAB9A (0.46) MMP8CYP2A6ADRB2KDM4CHDAC1
SCHEMBL7033309 0.79 STING1 (0.53) MMP8RIPK1L3MBTL1SMN1; SMN2CLK1
SCHEMBL7026252 0.79 CYP2A6 (0.50) CYP2A6ADRB2KDM4CHDAC1HDAC3

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 MMP8 3646/4885RIPK1 2256/4885CYP2A6 1367/4885

“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.