SCHEMBL14049048

SCHEMBL14049048

CCC(=O)N(CC1CCCN(C)C1)c1cc(-c2ccc(F)cc2)sc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.40
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ OPRM1 P35372 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MCHR1 Q99705 1/20 0.36
▸ OPRD1 P41143 1/20 0.36

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
SCHEMBL14049088 0.92 CHEK1 (0.42) OPRM1OPRD1
SCHEMBL14031010 0.88 NR1I2 (0.40) IKBKBCHRM5CHRM1CHRM3PTPN1
SCHEMBL2877042 0.79 NR1I2 (0.41) KDM4E
Hydrochloric Acid SCHEMBL2878280 0.78 NR1I2 (0.41) KDM4E
SCHEMBL27633503 0.76 CHEK1 (0.37) CHRM5CHRM1CHRM3
SCHEMBL14048987 0.75 OPRD1 (0.42) IKBKBOPRM1KDM4ENPC1MAPT
SCHEMBL14049046 0.73 IKBKB (0.45) IKBKBPTPN1OPRM1KDM4ENPC1
SCHEMBL14136979 0.73 KDM4E (0.48) CHRM3OPRM1KDM4ENPC1MAPT
SCHEMBL14049041 0.71 KDM4E (0.40) IKBKBPTPN1KDM4ENPC1MAPT
SCHEMBL2876967 0.71 KDM4E (0.46) CHRM3KDM4EMAPT

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 IKBKB 994/4885CHRM5 4747/4885CHRM1 4852/4885

“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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