Sugi Predict

Sugi Predict / Compounds / SCHEMBL16979477

SCHEMBL16979477

SCHEMBL16979477

CC(=O)C(=Cc1ccc(F)cc1Cl)C(=O)CCl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA4 P22748 2/20 0.56
▸ CA7 P43166 2/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.36
▸ OPRL1 P41146 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ GABRA1 P14867 2/20 0.34
▸ GABRG2 P18507 2/20 0.34
▸ GABRB3 P28472 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34

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
SCHEMBL16983620 0.85 CA1 (0.47) CA1CA2CA4CA7NPSR1
SCHEMBL15714026 0.85 CA1 (0.47) CA1CA2CA4CA7NPSR1
SCHEMBL7979263 0.84 CA1 (0.56) CA1CA2CA4CA7NPSR1
SCHEMBL5846939 0.80 CA1 (0.56) CA1CA2CA4CA7NPSR1
SCHEMBL5845479 0.80 CA1 (0.56) CA1CA2CA4CA7NPSR1
SCHEMBL5845482 0.80 CA1 (0.56) CA1CA2CA4CA7NPSR1
SCHEMBL21827664 0.80 MAPT (0.52) CA1CA2CA4CA7NPSR1
SCHEMBL21827667 0.80 MAPT (0.52) CA1CA2CA4CA7NPSR1
SCHEMBL4755187 0.80 MAPT (0.52) CA1CA2CA4CA7NPSR1
SCHEMBL295455 0.72 TDP1 (0.44) CA1CA2CYP1A2CYP2C19HPGD

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
US-20170226121-A1 MODULATORS OF VIRUS ASSEMBLY AS ANTIVIRAL AGENTS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2017-08-10 — — US disclosed
US-9487534-B2 Modulators of virus assembly as antiviral agents SCRIPPS RESEARCH INSTITUTE, A NOT-FOR-PROFIT PUBLIC BENEFIT CORPORATION OF CALIFORNIA (US) 2016-11-08 — — US disclosed
US-20150292045-A1 ALTERNATIVE USES FOR HBV ASSEMBLY EFFECTORS ASSEMBLY BIOSCIENCES, INC. 2015-10-15 — — US disclosed
US-20150218182-A1 MODULATORS OF VIRUS ASSEMBLY AS ANTIVIRAL AGENTS INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-08-06 — — 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 (3 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-20150218182-A1 MODULATORS OF VIRUS ASSEMBLY AS ANTIVIRAL AGENTS HAVCR2, MAVS, EIF2AK2 CA1 4652/4885CA2 4704/4885CA4 4649/4885
US-20150292045-A1 ALTERNATIVE USES FOR HBV ASSEMBLY EFFECTORS HAVCR2, HCCS, MAVS CA1 4579/4885CA2 4628/4885CA4 4553/4885
US-20170226121-A1 MODULATORS OF VIRUS ASSEMBLY AS ANTIVIRAL AGENTS HAVCR2, MAVS, EIF2AK2 CA1 4652/4885CA2 4704/4885CA4 4649/4885

“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.