SCHEMBL6809656

SCHEMBL6809656

CC1CCC(C(=O)N(c2cc(-c3ccccc3)sc2C(=O)OCOC(=O)C(C)(C)C)C2CCN(C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.38
KDM4E B2RXH2 4/20 0.35
HTT P42858 2/20 0.35
ATM Q13315 1/20 0.35
OPRM1 P35372 3/20 0.35
ALDH1A1 P00352 4/20 0.34
HPGD P15428 3/20 0.34
MEN1 O00255 2/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MKNK1 Q9BUB5 1/20 0.33
POLB P06746 1/20 0.33
CACNA2D1 P54289 2/20 0.32
MCHR1 Q99705 1/20 0.32
LMNA P02545 1/20 0.31
PLA2G1B P04054 1/20 0.31

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
SCHEMBL6829764 0.92 NR1I2 (0.36) NR1I2KDM4EHTTATMOPRM1
SCHEMBL6814161 0.91 OPRM1 (0.38) NR1I2KDM4EHTTATMOPRM1
Hydrochloric Acid SCHEMBL6813493 0.90 MEN1 (0.37) NR1I2KDM4EHTTATMOPRM1
SCHEMBL6830100 0.89 ALDH1A1 (0.40) NR1I2KDM4EHTTATMOPRM1
SCHEMBL6826601 0.88 OPRM1 (0.41) NR1I2KDM4EHTTATMOPRM1
Hydrochloric Acid SCHEMBL6814172 0.88 KDM4E (0.35) NR1I2KDM4EHTTATMOPRM1
Hydrochloric Acid SCHEMBL6809539 0.88 ALDH1A1 (0.39) NR1I2KDM4EHTTATMOPRM1
Hydrochloric Acid SCHEMBL6812271 0.88 OPRM1 (0.40) NR1I2KDM4EHTTATMOPRM1
SCHEMBL6809568 0.88 KDM4E (0.35) NR1I2KDM4EHTTATMOPRM1
Hydrochloric Acid SCHEMBL6813446 0.88 KDM4E (0.35) NR1I2KDM4EHTTATMOPRM1

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-20040192707-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2004-09-30 US disclosed
WO-2004052879-A1 THIOPHENEDERIVATIVES FOR THE TREATMENT OF FLAVIVIRUS INFECTIONS VIROCHEM PHARMA INC. (CA) 2004-06-24 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 (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-20040192707-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, HAVCR2, MAVS NR1I2 561/4885KDM4E 3607/4885HTT 2977/4885

“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.