SCHEMBL18582698

SCHEMBL18582698

O=C(O)c1cc(F)c(I)c(-c2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.51
▸ ACLY P53396 3/20 0.43
▸ TPMT P51580 1/20 0.42
▸ KDM4A O75164 1/20 0.42
▸ KDM4B O94953 1/20 0.42
▸ KDM4D Q6B0I6 1/20 0.42
▸ KDM4C Q9H3R0 1/20 0.42
▸ KMO O15229 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ AKR1C2 P52895 2/20 0.40
▸ AKR1C1 Q04828 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ BLVRB P30043 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ FABP2 P12104 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ AKR1C4 P17516 1/20 0.40
▸ ADRA2B P18089 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
SCHEMBL18582538 0.83 ALDH1A1 (0.47) TTRACLYAKR1C2AKR1C1ALDH1A1
SCHEMBL27878097 0.82 TTR (0.54) TTRACLYKDM4AKDM4BKDM4D
SCHEMBL18582917 0.79 ALDH1A1 (0.38) TTRACLYAKR1C2AKR1C1ALDH1A1
SCHEMBL18582759 0.79 TTR (0.51) TTRTPMTKMODHODHALDH1A1
SCHEMBL29473809 0.77 RARB (0.56) TTRKMOAKR1C2AKR1C1ALDH1A1
SCHEMBL16554472 0.77 PTGER1 (0.52) TTRACLYKMOALDH1A1MAOA
SCHEMBL2041007 0.77 RARB (0.56) TTRKMOAKR1C2AKR1C1ALDH1A1
SCHEMBL24345225 0.76 TTR (0.60) TTRACLYKMODHODHAKR1C2
SCHEMBL22560713 0.76 AKR1C2 (0.42) AKR1C2AKR1C1ALDH1A1MEN1FABP2
SCHEMBL21942061 0.76 ACLY (0.49) TTRACLYAKR1C2AKR1C1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3344617-A1 PAN-GENOMIC INHIBITORS OF NS5A PROTEIN ENCODED BY HCV, PHARMACEUTICAL COMPOSITIONS, INTERMEDIATES FOR INHIBITOR SYNTHESIS, AND THEIR SYNTHESIS AND APPLICATION METHODS. Ivachtchenko, Alexandre Vasilievich (US) 2018-07-11 — — EP disclosed
US-9790207-B2 Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-10-17 — — US disclosed
US-20170066746-A1 Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods IVACHTCHENKO ALEXANDRE VASILIEVICH (US) 2017-03-09 — — US disclosed
WO-2017039791-A1 PAN-GENOMIC INHIBITORS OF NS5A PROTEIN ENCODED BY HCV, PHARMACEUTICAL COMPOSITIONS, INTERMEDIATES FOR INHIBITOR SYNTHESIS, AND THEIR SYNTHESIS AND APPLICATION METHODS. ALLA CHEM, LLC (US) 2017-03-09 — — 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-20170066746-A1 Pan-genomic inhibitors of NS5A protein encoded by HCV, pharmaceutical compositions, intermediates for inhibitor synthesis, and their synthesis and application methods POLR2A, GTF3C1, SSU72 TTR 1075/4885ACLY 1829/4885TPMT 1012/4885

“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.

Send feedback