SCHEMBL6702102

SCHEMBL6702102

C[C@]1(CS)Cn2c(nc3ccccc3c2=O)S1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 4/20 0.47
KDM4E B2RXH2 9/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
BCHE P06276 2/20 0.41
ACHE P22303 2/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CFTR P13569 1/20 0.41
ALOX15 P16050 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
GOPC Q9HD26 1/20 0.41
PDE5A O76074 1/20 0.40
KMT2A Q03164 3/20 0.40
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL6702106 1.00 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL6702101 1.00 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL7002831 0.87 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL6705144 0.87 ALDH1A1 (0.47) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL7097211 0.79 PDE7A (0.39) ALDH1A1L3MBTL1POLBHTT
SCHEMBL7097447 0.75
SCHEMBL6804691 0.71 ALDH1A1 (0.49) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL6701095 0.71 ALDH1A1 (0.49) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL6804689 0.71 ALDH1A1 (0.49) ALDH1A1MAPTLMNAKDM4EHPGD
SCHEMBL12349572 0.66 ALDH1A1 (0.83) ALDH1A1MAPTLMNAKDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040259192-A1 Method for cleaving the human growth hormone gh IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-12-23 US claimed
WO-2002074945-A1 METHOD FOR CLEAVING HUMAN GROWTH HORMONE GH IBFB GMBH PRIVATES INSTITUT FÜR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2002-09-26 WO claimed
US-20040259192-A1 Method for cleaving the human growth hormone gh IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-12-23 US disclosed
US-20040023953-A1 Tricylic mercaptomethyl-substituted 2,3-dihydro-quinazolin-5-ones and 2,3-dihydro-benzo-[1,2,4]-thiadiazin-5,5-dioxides as matrix metalloproteinase (MMP) inhibitors IBFB GMBH PRIVATES INSTITUT FUR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2004-02-05 US disclosed
EP-1319010-B1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH PRIVATES INST FUER B (DE) 2003-12-17 EP disclosed
WO-2003089416-A1 SUBSTITUTED PYRIMIDINE-2,4(1H,3H)-DIONES FOR USE AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH (DE) 2003-10-30 WO disclosed
EP-1357114-A1 Substituted pyrimidin-2,4(1H,3H)-diones as inhibitors of Matrix Metalloproteinases (MMP) IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-10-29 EP disclosed
EP-1319010-A1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GmbH Privates Institut für biomedizinische Forschung und Beratung (DE) 2003-06-18 EP disclosed
WO-2002024710-A1 TRICYCLIC MERCAPTOMETHYL-SUBSTITUTED 2,3-DIHYDRO-QUINAZOLIN-5-ONES AND 2,3-DIHYDRO-BENZO-[1,2,4]-THIADIAZIN-5,5-DIOXIDES AS MATRIX METALLOPROTEINASE (MMP) INHIBITORS IBFB GMBH PRIVATES INSTITUT FÜR BIOMEDIZINISCHE FORSCHUNG UND BERATUNG (DE) 2002-03-28 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-20040023953-A1 Tricylic mercaptomethyl-substituted 2,3-dihydro-quinazolin-5-ones and 2,3-dihydro-benzo-[1,2,4]-thiadiazin-5,5-dioxides as matrix metalloproteinase (MMP) inhibitors TPSB2, MMP25, MMP15 ALDH1A1 356/4885MAPT 3416/4885LMNA 4547/4885
US-20040259192-A1 Method for cleaving the human growth hormone gh MMP3, MMP25, MMP17 ALDH1A1 3457/4885MAPT 4820/4885LMNA 2308/4885

“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.