SCHEMBL17470220

SCHEMBL17470220

FC(F)(F)c1cc(NC(=S)NC[C@H]2CCCN2)cc(C(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 1/20 0.49
▸ MYC P01106 1/20 0.48
▸ MAX P61244 1/20 0.48
▸ IDO1 P14902 3/20 0.45
▸ TDO2 P48775 3/20 0.45
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ IL1B P01584 3/20 0.42
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL28326753 1.00 SCN9A (0.49) SCN9AMYCMAXIDO1TDO2
SCHEMBL17466662 0.92 HPGD (0.46) SCN9AMYCMAXIDO1TDO2
SCHEMBL17437611 0.85 SCN9A (0.54) SCN9AIDO1TDO2IL1BLMNA
SCHEMBL17437608 0.85 SCN9A (0.54) SCN9AIDO1TDO2IL1BLMNA
SCHEMBL15483300 0.78 OPRM1 (0.53) MEN1KMT2ALMNAMAPTHTT
SCHEMBL15844424 0.77 SCN9A (0.69) SCN9AIDO1TDO2IL1BLMNA
SCHEMBL15844258 0.77 SCN9A (0.69) SCN9AIDO1TDO2IL1BLMNA
SCHEMBL15844259 0.77 SCN9A (0.69) SCN9AIDO1TDO2IL1BLMNA
SCHEMBL26491261 0.75 HPGD (0.67) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL19805277 0.75 MYC (0.48) MYCMAXIDO1MEN1KMT2A

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-9744528-B2 Metallorganocatalysis for asymmetric transformations RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2017-08-29 — — US disclosed
US-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations Rutgars, The State University of New Jersey (US) 2016-01-28 — — 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-20160023198-A1 Metallorganocatalysis For Asymmetric Transformations SOD1, AOC3, CBR1 SCN9A 4169/4885MYC 564/4885MAX 1150/4885

“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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