SCHEMBL14048968

SCHEMBL14048968

CCC(=O)N(c1cc(-c2ccccc2)sc1C(=O)OC)C1CCN(C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ OPRM1 P35372 4/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ USP30 Q70CQ3 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ OPRD1 P41143 2/20 0.40
▸ SLC22A1 O15245 1/20 0.40
▸ NR1I2 O75469 1/20 0.40
▸ ABCB1 P08183 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ DRD2 P14416 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ CHRM3 P20309 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ DRD4 P21917 1/20 0.40

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
SCHEMBL14048970 0.91 OPRM1 (0.43) OPRM1SIGMAR1USP30OPRD1SLC22A1
SCHEMBL2874973 0.87 KDM4E (0.46) KDM4EHTTATMUSP30MAPT
SCHEMBL14049045 0.85 KDM4E (0.46) KDM4EHTTATMOPRM1SIGMAR1
SCHEMBL14049039 0.84 KDM4E (0.50) KDM4EHTTATMOPRM1MAPT
SCHEMBL2870772 0.77 USP30 (0.45) USP30NR1I2
SCHEMBL14048972 0.77 OPRM1 (0.46) OPRM1SIGMAR1OPRD1SLC22A1NR1I2
SCHEMBL14049049 0.76 OPRD1 (0.46) OPRM1SIGMAR1OPRD1SLC22A1NR1I2
SCHEMBL2877138 0.75 KDM4E (0.49) KDM4EHTTATMOPRM1MAPT
SCHEMBL2877135 0.75 KDM4E (0.49) KDM4EHTTATMOPRM1MAPT
SCHEMBL14049057 0.75 KDM4E (0.44) KDM4EHTTATMOPRM1SIGMAR1

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-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-10-30 — — US disclosed
US-7402608-B2 Compounds and methods for the treatment or prevention of Flavivirus infections VIROCHEM PHARMA INC. (CA) 2008-07-22 — — 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-20080269481-A1 Compounds and methods for the treatment or prevention of Flavivirus infections ZC3HAV1, ZYX, ZFX KDM4E 1505/4885HTT 2862/4885ATM 4049/4885

“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.

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