SCHEMBL8200644

SCHEMBL8200644

CCOC(=O)c1nc2sc(CC)cc2c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 5/20 0.57
HPGD P15428 3/20 0.57
GAA P10253 3/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
POLB P06746 2/20 0.57
CYP2C19 P33261 1/20 0.57
TMIGD3 P0DMS9 5/20 0.56
ADORA1 P30542 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.55
RAB9A P51151 2/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MAPT P10636 3/20 0.49
LMNA P02545 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
AGTR1 P30556 1/20 0.49
MAPK1 P28482 1/20 0.44

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
SCHEMBL1967325 0.90 KDM4E (0.55) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL1970640 0.88 ALDH1A1 (0.61) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL11499215 0.88 ALDH1A1 (0.53) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL11499002 0.88 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL11498504 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL166199 0.87 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL8203016 0.86 ALDH1A1 (0.55) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL8188233 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL11491036 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDGAACYP1A2
SCHEMBL4935034 0.85 ALDH1A1 (0.57) ALDH1A1KDM4EHPGDGAACYP1A2

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-4054656-A ASTHMA, HAY FEVER, FOODS MEAD JOHNSON & COMPANY (US) 1977-10-18 US claimed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
US-20080261968-A1 Heterobicyclic metalloprotease inhibitors GEGE CHRISTIAN 2008-10-23 US disclosed
WO-2008063668-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
US-4234581-A ANTIALLERGENS MEAD JOHNSON & COMPANY (US) 1980-11-18 US disclosed
US-4159377-A ANTIALLERGENS MEAD JOHNSON & COMPANY (US) 1979-06-26 US disclosed
US-4054656-A ASTHMA, HAY FEVER, FOODS MEAD JOHNSON & COMPANY (US) 1977-10-18 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-20080261968-A1 Heterobicyclic metalloprotease inhibitors MMP13, TIMP3, MMP3 ALDH1A1 1871/4885KDM4E 1572/4885HPGD 587/4885

“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.