SCHEMBL14048973

SCHEMBL14048973

CCC(=O)N(c1cc(-c2cccc(F)c2)sc1C(=O)O)C1CCC(O)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.43
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39
▸ TRPM8 Q7Z2W7 2/20 0.38
▸ FYN P06241 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
SCHEMBL13093691 0.92 OPRM1 (0.41) OPRM1MEN1MAPTKMT2A
SCHEMBL14049046 0.91 IKBKB (0.45) OPRM1MEN1POLBMAPTKMT2A
SCHEMBL14049089 0.87 OPRD1 (0.36) OPRM1MEN1POLBKMT2A
SCHEMBL2878751 0.85 NR1I2 (0.39) MEN1POLBMAPTCRHBPKMT2A
SCHEMBL13093703 0.85 MEN1 (0.36) OPRM1MEN1POLBMAPTCRHBP
SCHEMBL14136645 0.85 PTPN1 (0.41) OPRM1MEN1POLBMAPTKMT2A
SCHEMBL14136642 0.84 KDM4E (0.42) OPRM1MEN1MAPTKMT2A
SCHEMBL14048975 0.84 KDM4E (0.42) OPRM1MEN1MAPTKMT2A
SCHEMBL14049055 0.84 ALDH1A1 (0.44) OPRM1MEN1POLBMAPTKMT2A
SCHEMBL14049057 0.83 KDM4E (0.44) OPRM1MEN1MAPTKMT2A

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 OPRM1 4348/4885MEN1 3705/4885POLB 3431/4885

“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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