SCHEMBL7542839

SCHEMBL7542839

CC(C[CH]C(=O)NC(COC(C)(C)C)Cc1ccc(OCc2ccccc2)cc1)C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.46
LPAR1 Q92633 4/20 0.43
LPAR3 Q9UBY5 4/20 0.43
LTA4H P09960 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAOB P27338 1/20 0.41
MME P08473 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41
ACE2 Q9BYF1 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
SCHEMBL7541479 0.87 ADRB2 (0.47) PPARGLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7344073 0.83 PPARG (0.62) PPARGLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7544099 0.83 L3MBTL1 (0.47) PPARGLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7338154 0.81 PPARG (0.51) PPARGLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7547521 0.80 KMT2A (0.48) PPARGSMN1; SMN2
SCHEMBL7345222 0.80 PPARG (0.51) PPARGLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7346029 0.79 PPARG (0.49) PPARGLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7339686 0.79 PPARG (0.49) PPARGLTA4HNPC1RAB9ASMN1; SMN2
SCHEMBL7337025 0.79 KLKB1 (0.52) PPARGMMEACECPA1ACE2
SCHEMBL7338315 0.79 PPARG (0.52) PPARGLTA4HNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362174-B1 ANALGESICS, ANTIISCHEMIC AGENTS, ANTIEOILEPTIC AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US claimed
US-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts RAFFERTY MICHAEL FRANCIS (US) 2002-03-07 US claimed
US-6316440-B1 TREATMENT OF STROKE, HEAD TRAUMA, CEREBRAL ISCHEMIA, PAIN AND EPILEPSY WARNER-LAMBERT COMPANY 2001-11-13 US claimed
US-6362174-B1 ANALGESICS, ANTIISCHEMIC AGENTS, ANTIEOILEPTIC AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
US-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts RAFFERTY MICHAEL FRANCIS (US) 2002-03-07 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 (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-20020028801-A1 Reduced dipeptide analogues as calcium channel antagonitsts CACNA1E, RYR1, CACNA1B PPARG 4719/4885LPAR1 961/4885LPAR3 835/4885

“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.