SCHEMBL6501528

SCHEMBL6501528

Cc1cccc(C(=O)OCCC2SC(NC3CC4C=CC3C4)=NC2=O)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
LMNA P02545 1/20 0.34
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
TP53 P04637 2/20 0.33
PKM P14618 1/20 0.33
ATM Q13315 1/20 0.33
ELANE P08246 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL6501686 0.90 NPSR1 (0.39) NPC1RAB9ATP53ELANEMAPT
SCHEMBL6506231 0.89 KMT2A (0.37) RAB9APKMMAPTKDM4E
SCHEMBL6510626 0.89 TDP1 (0.34) RAB9ALMNAPKMATMTDP1
SCHEMBL6499218 0.88 LMNA (0.35) L3MBTL1CYP2C9CYP2C19NPC1RAB9A
SCHEMBL6503874 0.85 KMT2A (0.36) CYP2C9CYP2C19KDM4E
SCHEMBL6500555 0.83 L3MBTL1 (0.35) L3MBTL1CYP2C9ELANEMAPTKDM4E
SCHEMBL6503577 0.83 ALDH1A1 (0.34) L3MBTL1NPC1RAB9ALMNAMAPT
SCHEMBL6508566 0.82 ALDH1A1 (0.38) CYP2C9CYP2C19LMNATP53MAPT
SCHEMBL6508814 0.82 ATF1 (0.30)
Trifluoroacetic Acid SCHEMBL6504699 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 US claimed
US-20050239853-A1 New compounds BIOVITRUM AB (SE) 2005-10-27 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-20050239853-A1 New compounds HSD11B1, CYP11B1, HSD3B1 L3MBTL1 4470/4885CYP2C9 133/4885CYP2C19 89/4885

“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.