SCHEMBL5645233

SCHEMBL5645233

CCOC(=O)c1nc(S(C)(=O)=O)n(CCC(=O)OC)c(=O)c1OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.40
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KAT2B Q92831 1/20 0.39
PPARG P37231 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSP90AA1 P07900 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL5644365 0.94 KDM4E (0.44) HPGDLMNAKDM4EALDH1A1PPARG
SCHEMBL5537803 0.90 CYP1A2 (0.43) HPGDLMNAKDM4EALDH1A1PPARG
SCHEMBL5643042 0.86 LMNA (0.42) HPGDLMNAKDM4EALDH1A1KAT2B
SCHEMBL6093718 0.85 KDM4E (0.42) HPGDLMNAKDM4EALDH1A1PPARG
SCHEMBL5538661 0.80 ALDH1A1 (0.44) LMNAKDM4EALDH1A1MEN1KMT2A
SCHEMBL15455834 0.79 LMNA (0.49) HPGDLMNAALDH1A1TDP1TP53
SCHEMBL5532809 0.78 CYP1A2 (0.42) HPGDLMNAKDM4EALDH1A1MEN1
SCHEMBL3416727 0.76 KMT2A (0.46) HPGDLMNAKDM4EALDH1A1MEN1
SCHEMBL6093491 0.75 KDM4E (0.44) HPGDLMNAKDM4EALDH1A1PPARG
SCHEMBL6093940 0.74 KDM4E (0.45) HPGDKDM4EALDH1A1TDP1MEN1

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-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-7192948-B2 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-20 US disclosed
US-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-01 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-20050267132-A1 Bicyclic heterocycles as HIV integrase inhibitors CCNI, TOP1, APOBEC3C HPGD 218/4885LMNA 834/4885KDM4E 1231/4885

“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.