SCHEMBL6486162

SCHEMBL6486162

COc1cc2c(cc1NC1CCS(=O)(=O)CC1)oc1ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.54
KDM4E B2RXH2 11/20 0.54
ALDH1A1 P00352 12/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
GAA P10253 4/20 0.53
RAB9A P51151 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
NPC1 O15118 3/20 0.53
TSHR P16473 2/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
ATM Q13315 1/20 0.53
HPGD P15428 13/20 0.53
MEN1 O00255 7/20 0.53
KMT2A Q03164 7/20 0.53
POLB P06746 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53

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
SCHEMBL6493482 0.85 MAPT (0.60) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL6490197 0.85 MAPT (0.60) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL6491587 0.83 MAPT (0.55) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL6768311 0.78 NPC1 (0.53) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL6768316 0.78 SMN1; SMN2 (0.44) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL8923080 0.74 KMT2A (0.64) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL6768626 0.72 ALDH1A1 (0.56) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL6493235 0.72 KMT2A (0.61) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL7495432 0.71 ALDH1A1 (0.58) MAPTKDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL6228770 0.71 MAPT (0.70) MAPTKDM4EALDH1A1SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US claimed
US-6800656-B2 Tricyclic compounds and method of treating herpes virus WARNER LAMBERT COMPANY 2004-10-05 US claimed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US claimed
US-20050075332-A1 Tricyclic compounds with antiviral activity WARNER LAMBERT COMPANY 2005-04-07 US disclosed
US-20030229073-A1 Tricyclic compounds and method of treating herpes virus BOOTH RICHARD JOHN (US) 2003-12-11 US disclosed
EP-1248777-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2002-10-16 EP disclosed
WO-2001051479-A2 TRICYCLIC COMPOUNDS WITH ANTIVIRAL ACTIVITY WARNER-LAMBERT COMPANY (US) 2001-07-19 WO 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-20030229073-A1 Tricyclic compounds and method of treating herpes virus HDAC8, ZC3HAV1, ZCCHC8 MAPT 2337/4885KDM4E 1279/4885ALDH1A1 4486/4885
US-20050075332-A1 Tricyclic compounds with antiviral activity HDAC8, CDK8, ZC3HAV1 MAPT 3500/4885KDM4E 1476/4885ALDH1A1 4111/4885

“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.