SCHEMBL6796974

SCHEMBL6796974

COC(=O)C1Cc2ccc(N(CC(OC)OC)S(C)(=O)=O)cc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.38
MMP9 P14780 10/20 0.38
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 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
SCHEMBL6579690 0.79 MAPT (0.33) MMP2MMP9RAB9AMAPTSMN1; SMN2
SCHEMBL6797835 0.72 OPRM1 (0.32) MAPTGAAALDH1A1SMN1; SMN2POLB
SCHEMBL6797112 0.67 GAA (0.39) MAPTGAAALDH1A1
SCHEMBL6213755 0.66 GAA (0.40) MMP2MMP9GAAHTTALDH1A1
SCHEMBL3136218 0.63 P2RX7 (0.46) ALDH1A1POLB
SCHEMBL6799096 0.63 MAPT (0.49) MAPTHTTALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL6582966 0.62 OPRM1 (0.34) MAPTGAAALDH1A1SMN1; SMN2POLB
SCHEMBL548190 0.61 SMN1; SMN2 (0.43) GAASMN1; SMN2
SCHEMBL3130145 0.61 SMN1; SMN2 (0.43) GAASMN1; SMN2
SCHEMBL7063025 0.60 HTR6 (0.40) MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6743818-B2 TREATING ANXIETY, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, IMPULSIVE DISORDERS, DRUG ABUSE, COGNITIVE DISORDERS, PSYCHOSES, DEPRESSION AND MOOD DISORDERS LES LABORATOIRES SERVIER (FR) 2004-06-01 US disclosed
US-20030032812-A1 Cyclobutaindolecarboxamide compounds PEGLION JEAN-LOUIS (FR) 2003-02-13 US disclosed
US-6452015-B2 FOR TREATMENT OF ANXIETY, PANIC ATTACKS, OBSESSIVE-COMPULSIVE DISORDERS, PHOBIAS, IMPULSIVE DISORDERS, DRUG ABUSE, COGNITIVE DISORDERS, PSYCHOSES, DEPRESSION AND MOOD DISORDERS LES LABORATOIRES SERVIER (FR) 2002-09-17 US disclosed
US-20010044426-A1 Cyclobutaindolecarboxamide compounds LES LABORATOIRES SERVIER (FR) 2001-11-22 US 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 (2 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-20010044426-A1 Cyclobutaindolecarboxamide compounds HRH4, HTR4, CNR1 MMP2 3109/4885MMP9 3967/4885RAB9A 3085/4885
US-20030032812-A1 Cyclobutaindolecarboxamide compounds CYP2W1, HRH4, CNR1 MMP2 3538/4885MMP9 4163/4885RAB9A 2544/4885

“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.